Cas no 107400-97-5 (4-Chloro-5H-pyrimido5,4-bindole HCl)
4-Chloro-5H-pyrimido[5,4-b]indole HCl is a heterocyclic compound featuring a fused pyrimidine-indole core structure, chlorinated at the 4-position and provided as a hydrochloride salt. This derivative is of interest in medicinal chemistry and pharmaceutical research due to its potential as a versatile intermediate for the synthesis of biologically active molecules. The chloro substituent enhances reactivity, facilitating further functionalization, while the hydrochloride salt improves solubility and stability for handling. Its rigid polycyclic framework makes it a valuable scaffold for exploring structure-activity relationships in drug discovery, particularly in targeting kinase inhibitors or other therapeutic agents. The compound is typically characterized by HPLC, NMR, and mass spectrometry to ensure high purity.
107400-97-5 structure
Product Name:4-Chloro-5H-pyrimido5,4-bindole HCl
CAS No:107400-97-5
MF:C10H7Cl2N3
MW:240.088679552078
CID:62677
PubChem ID:18184368
Update Time:2025-05-28
4-Chloro-5H-pyrimido5,4-bindole HCl Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-5H-pyrimido[5,4-b]indole hydrochloride
- 4-CHLORO-5H-PYRIMIDO(5,4-B)INDOLE HYDROCHLORIDE
- 4-Chloroindolo[3,2-d]pyrimidine hydrochloride
- 5H-Pyrimido[5,4-b]indole,4-chloro-, monohydrochloride (9CI)
- 5H-Pyrimido[5,4-b]indole, 4-chloro-, hydrochloride
- 5H-Pyrimido[5,4-b]indole, 4-chloro-, hydrochloride (1:1)
- SCHEMBL7221411
- AKOS015911822
- AC-22877
- 4-Chloro-5H-pyrimido[5,4-b]indole--hydrogen chloride (1/1)
- 4-choroindolo[3,2-d]pyrimidine hydrochloride
- 107400-97-5
- 4-chloro-5H-pyrimido[5,4-b]indole;hydrochloride
- CGMRZDPPIWCBBU-UHFFFAOYSA-N
- FT-0690165
- DTXSID60592653
- 4-chloroindolo[3,2-d]pyrimidinehydrochloride
- 4-Chloro-5H-pyrimido[5,4-b]indolehydrochloride
- SCHEMBL7215707
- 4-Chloro-5H-pyrimido5,4-bindole HCl
-
- Inchi： 1S/C10H6ClN3.ClH/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9;/h1-5,14H;1H
- InChI Key： CGMRZDPPIWCBBU-UHFFFAOYSA-N
- SMILES： ClC1C2=C(C3C=CC=CC=3N2)N=CN=1.Cl
Computed Properties
- Exact Mass: 239.00200
- Monoisotopic Mass: 239.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 223
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.6A^2
Experimental Properties
- PSA: 41.57000
- LogP: 3.56650
4-Chloro-5H-pyrimido5,4-bindole HCl Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Chloro-5H-pyrimido5,4-bindole HCl Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C277020-50mg |
4-Chloro-5H-pyrimido[5,4-b]indole HCl |
107400-97-5 | 50mg |
$ 405.00 | 2022-04-01 | ||
| TRC | C277020-100mg |
4-Chloro-5H-pyrimido[5,4-b]indole HCl |
107400-97-5 | 100mg |
$ 670.00 | 2022-04-01 | ||
| TRC | C277020-250mg |
4-Chloro-5H-pyrimido[5,4-b]indole HCl |
107400-97-5 | 250mg |
$ 1340.00 | 2022-04-01 |
4-Chloro-5H-pyrimido5,4-bindole HCl Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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