Cas no 128429-03-8 (methyl 3-nitro-4-(propylamino)benzoate)
methyl 3-nitro-4-(propylamino)benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-nitro-4-(propylamino)benzoate
- methyl 3-nitro-N4-propylaminobenzoate;
- SCHEMBL5315342
- Methyl3-nitro-4-(propylamino)benzoate
- EN300-7384435
- DTXSID60560832
- AKOS015899009
- Benzoic acid, 3-nitro-4-(propylamino)-, methyl ester
- BS-20616
- 128429-03-8
- SB77180
-
- Inchi: 1S/C11H14N2O4/c1-3-6-12-9-5-4-8(11(14)17-2)7-10(9)13(15)16/h4-5,7,12H,3,6H2,1-2H3
- InChI Key: YNIMKYLYDRQUQA-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CC(=C(C=1)[N+](=O)[O-])NCCC)=O
Computed Properties
- Exact Mass: 238.09500
- Monoisotopic Mass: 238.09535693Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 277
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 84.15000
- LogP: 2.79950
methyl 3-nitro-4-(propylamino)benzoate Customs Data
- HS CODE:2922499990
- Customs Data:
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
methyl 3-nitro-4-(propylamino)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AA43985-1g |
Methyl 3-nitro-4-(propylamino)benzoate |
128429-03-8 | 97% | 1g |
$97.00 | 2024-04-20 | |
| A2B Chem LLC | AA43985-5g |
Methyl 3-nitro-4-(propylamino)benzoate |
128429-03-8 | 97% | 5g |
$271.00 | 2024-04-20 | |
| A2B Chem LLC | AA43985-10g |
Methyl 3-nitro-4-(propylamino)benzoate |
128429-03-8 | 97% | 10g |
$467.00 | 2024-04-20 | |
| Crysdot LLC | CD12155812-10g |
Methyl 3-nitro-4-(propylamino)benzoate |
128429-03-8 | 95+% | 10g |
$395 | 2024-07-23 | |
| 1PlusChem | 1P000YK1-1g |
Benzoic acid, 3-nitro-4-(propylamino)-, methyl ester |
128429-03-8 | 97% | 1g |
$81.00 | 2025-02-18 | |
| 1PlusChem | 1P000YK1-5g |
Benzoic acid, 3-nitro-4-(propylamino)-, methyl ester |
128429-03-8 | 97% | 5g |
$356.00 | 2025-02-18 | |
| 1PlusChem | 1P000YK1-10g |
Benzoic acid, 3-nitro-4-(propylamino)-, methyl ester |
128429-03-8 | 97% | 10g |
$613.00 | 2025-02-18 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1847203-5g |
Methyl 3-nitro-4-(propylamino)benzoate |
128429-03-8 | 98% | 5g |
¥3255.00 | 2024-08-09 |
methyl 3-nitro-4-(propylamino)benzoate Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
Additional information on methyl 3-nitro-4-(propylamino)benzoate
Recent Advances in the Study of Methyl 3-nitro-4-(propylamino)benzoate (CAS: 128429-03-8)
Methyl 3-nitro-4-(propylamino)benzoate (CAS: 128429-03-8) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential applications in drug development and medicinal chemistry. Recent studies have explored its synthesis, biological activity, and potential therapeutic uses, making it a compound of interest for researchers aiming to develop novel pharmacological agents.
The compound's structure, featuring a nitro group and a propylamino substituent on a benzoate scaffold, suggests its potential as a precursor or intermediate in the synthesis of more complex molecules. Recent research has focused on optimizing its synthetic pathways to improve yield and purity, which are critical for its application in high-throughput screening and drug discovery programs. Advances in catalytic methods and green chemistry approaches have been particularly noteworthy in this context.
In terms of biological activity, methyl 3-nitro-4-(propylamino)benzoate has been investigated for its interactions with various enzymatic targets. Preliminary studies indicate that the nitro group may play a key role in its binding affinity, potentially making it a candidate for the development of enzyme inhibitors. Researchers have also explored its cytotoxicity and pharmacokinetic properties, with some studies suggesting moderate activity against specific cancer cell lines. However, further in vivo studies are needed to validate these findings and assess its therapeutic potential.
One of the most promising areas of research involves the derivatization of methyl 3-nitro-4-(propylamino)benzoate to enhance its pharmacological properties. Recent publications have reported the synthesis of novel analogs with improved solubility and bioavailability, addressing some of the limitations associated with the parent compound. These efforts are part of a broader trend in medicinal chemistry to optimize lead compounds for clinical development.
Despite these advances, challenges remain in fully elucidating the mechanism of action of methyl 3-nitro-4-(propylamino)benzoate and its derivatives. Computational modeling and structural biology techniques are being employed to gain deeper insights into its interactions at the molecular level. Collaborative efforts between academic and industrial researchers are expected to accelerate progress in this area, potentially leading to the identification of new drug candidates.
In conclusion, methyl 3-nitro-4-(propylamino)benzoate (CAS: 128429-03-8) represents a versatile scaffold with significant potential in drug discovery. Ongoing research aims to refine its synthesis, explore its biological activities, and develop derivatives with enhanced therapeutic profiles. As the field advances, this compound may serve as a valuable tool for understanding complex biological pathways and designing next-generation pharmaceuticals.
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