Cas no 481-42-5 (Plumbagin)

Plumbagin structure

Product Name:Plumbagin

CAS No:481-42-5

MF:C₁₁H₈O₃

MW:188.179423332214

MDL:MFCD00001682

CID:82346

PubChem ID:87575243

Update Time:2025-04-18

Plumbagin Chemical and Physical Properties

Names and Identifiers

- 5-Hydroxy-2-methylnaphthalene-1,4-dione
- 5-Hydroxy-2-methyl-1,4-naphthoquinone
- Plumbagin from Plumbago indica
- 5-HYDROXY-2-METHYL-1,4-NAPTHOQUINONE
- 5-hydroxy-2-methylnaphthoquinone
- Plumbagin
- PLUMBAGIN(RG)
- plumbapin
- 2-methyl-5-hydroxy-1,4-naphthalenedione
- 2-Methyl-5-hydroxy-1,4-naphthoquinone
- 2-Methyljuglone
- 5-hydroxy-2-methyl-[1,4]naphthoquinone
- 5-hydroxy-2-methyl-1,4-naphthalenedione
- 5-hydroxy-2-methyl-1,4-NQ
- Plumbaein
- Plumbagine
- Plumbagone
- NSC 236613
- NSC 688284
- 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
- YAS4TBQ4OQ
- VCMMXZQDRFWYSE-UHFFFAOYSA-N
- 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-
- NSC-688284
- NCGC00094567-06
- NCGC00094567-01
- NS00031768
- NSC688284
- BDBM50012070
- 1, 5-hydroxy-2-methyl-
- SR-05000002263
- SPECTRUM1505129
- NCI60_001904
- UNII-YAS4TBQ4OQ
- FT-0602795
- PLUMBAGIN [MI]
- BRD-K36137799-001-02-4
- CCG-208410
- NCGC00094567-04
- NCGC00094567-02
- W-202844
- ACon1_001611
- CHEBI:8273
- DTXSID8075413
- GTPL7003
- RTK1
- NSC-236613
- SR-05000002263-3
- SCHEMBL34186
- AKOS015969699
- PCUR-101
- Q2550553
- MFCD00001682
- 5-Hydroxy-2-methyl-naphthalene-1,4-dione
- NCGC00094567-03
- WLN: L66 BV EVJ C1 GQ
- 5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione
- BRN 1870475
- HY-N1497
- NCGC00094567-05
- BSPBio_002546
- BRD-K36137799-001-03-2
- ST069355
- P1139
- 4-08-00-02376 (Beilstein Handbook Reference)
- PS-11338
- BP-25404
- CCG-208032
- InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H
- CS-0017042
- SR-05000002263-2
- Ophioxylin
- HMS3870L13
- CCRIS 6671
- 5- HYDROXY,2-METHYL-1,4-NAPHTOQUINONE
- NSC236613
- CHEMBL295316
- A1-00788
- Pumbagin
- AI3-38055
- A827479
- 481-42-5
- EINECS 207-569-6
- s4777
- Plumbagin [WHO-DD]
- ConMedNP.2912
- SA149_3.1
- [481-42-5]
- 5-Hydroxy 2-methyl 1,4-naphthoquinone
- DB-051524
- Plumbagin2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; 5-Hydroxy-2-methyl-1,4-naphthoquinone
- AP-782/41885488
- STL564479
- 1ST177647
- MDL： MFCD00001682
- Inchi： 1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
- InChI Key： VCMMXZQDRFWYSE-UHFFFAOYSA-N
- SMILES： OC1=CC=CC2C(C(C)=CC(C=21)=O)=O
- BRN： 1870475

Computed Properties

Exact Mass: 188.04700
Monoisotopic Mass: 188.047344
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 14
Rotatable Bond Count: 0
Complexity: 317
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
Surface Charge: 0
Tautomer Count: 14
XLogP3: 2.3
Topological Polar Surface Area: 54.4
Molecular Weight: 188.18

Experimental Properties

Color/Form: Powder
Density: 1.354
Melting Point: 76.0 to 79.0 deg-C
Boiling Point: 383.927 ℃ at 760 mmHg
Flash Point: 200.2°C
Refractive Index: 1.6310 (estimate)
PSA: 54.37000
LogP: 1.71750
Merck: 7538
Solubility: Not determined

Plumbagin Security Information

Symbol:
Prompt：dangerous
Signal Word：Danger
Hazard Statement： H301-H314
Warning Statement： P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Hazardous Material transportation number：UN 2923 8/PG 2
WGK Germany：3
Hazard Category Code： 25-34
Safety Instruction： S22; S26; S36/37/39; S45
RTECS：QL8500000
Hazardous Material Identification：
HazardClass：8 (6.1)
PackingGroup：III
Toxicity：LD50 i.p. in mice: ~0.015 g/kg (Debray)
Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Safety Term：6.1(a)
Packing Group：II
Risk Phrases：R23/24/25
Packing Group：II
Hazard Level：6.1(a)

Plumbagin Customs Data

HS CODE：2914690090
Customs Data：

China Customs Code:
2914690090

Overview:

2914690090 Other Quinones. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

Summary:

2914690090 other quinones.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

Plumbagin Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	P627000-100mg	Plumbagin	481-42-5		100mg	$ 53.00	2023-09-06
TRC	P627000-250mg	Plumbagin	481-42-5		250mg	$104.00	2023-05-17
MedChemExpress	HY-N1497-10mM*1mLinDMSO	Plumbagin	481-42-5	99.23%	10mM*1mLinDMSO	￥1045	2023-07-26
MedChemExpress	HY-N1497-50mg	Plumbagin	481-42-5	99.39%	50mg	￥950	2025-04-16
S e l l e c k ZHONG GUO	S4777-25mg	Plumbagin	481-42-5	99.76%	25mg	￥794.64	2023-09-15
Apollo Scientific	BIDF1037-500mg	Plumbagin	481-42-5		500mg	￡140.00	2023-08-31
Apollo Scientific	BIDF1037-1g	Plumbagin	481-42-5		1g	￡205.00	2025-02-19
Apollo Scientific	BIDF1037-5g	Plumbagin	481-42-5		5g	￡570.00	2023-08-31
Apollo Scientific	OR1174-250mg	5-Hydroxy-2-methylnaphthalene-1,4-dione	481-42-5	95%	250mg	￡70.00	2025-02-19
Apollo Scientific	OR1174-1g	5-Hydroxy-2-methylnaphthalene-1,4-dione	481-42-5	95%	1g	￡205.00	2025-02-19

Plumbagin Suppliers

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:481-42-5)PLUMBAGIN

Order Number:sfd9057

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:35

Price ($):discuss personally

Email:[email protected]

Product Official Link

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:481-42-5)Plumbagin

Order Number:A827479

Stock Status:in Stock

Quantity:1g/5g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 05:26

Price ($):256.0/894.0

Email:[email protected]

Product Official Link

Plumbagin Related Literature

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Ankita Jaiswal,Akash Sabarwal,Jai Prakash Narayan Mishra,Rana P. Singh RSC Adv. 2018 8 32022
2. Plumbagin: a natural product for smart materials?

Laura A. A. Newton,Emma Cowham,Duncan Sharp,Ray Leslie,James Davis New J. Chem. 2010 34 395
3. Cytotoxicity of the traditional chinese medicine (TCM) plumbagin in its copper chemistry

Zhen-Feng Chen,Ming-Xiong Tan,Li-Min Liu,Yan-Cheng Liu,Heng-Shan Wang,Bin Yang,Yan Peng,Hua-Gang Liu,Hong Liang,Chris Orvig Dalton Trans. 2009 10824
4. A fluorescent single domain antibody against plumbagin expressed in silkworm larvae for fluorescence-linked immunosorbent assay (FLISA)

Seiichi Sakamoto,Benyakan Pongkitwitoon,Kaori Sasaki-Tabata,Waraporn Putalun,Katsumi Maenaka,Hiroyuki Tanaka,Satoshi Morimoto Analyst 2011 136 2056
5. Designing new iridium(iii) arene complexes of naphthoquinone derivatives as anticancer agents: a structure–activity relationship study

Leila Tabrizi,Hossein Chiniforoshan Dalton Trans. 2017 46 2339

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