Basic information
- CAS
1181519-47-0- Standard SMILES
Cc1ccccc1Cc1cnc(NC(=O)CCn2nnc3ccccc3c2=O)s1- InChIKey
NHPOGCOZGXTNFE-UHFFFAOYSA-N- Molecular formula
- C21H19N5O2S
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.12594604
Names & identifiers
- Preferred name
- Bifendate Impurity A
- IUPAC
- N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
- English name
- Bifendate Impurity A
- Molecular formula
- C21H19N5O2S
- Molecular weight
- 405.47
Names & synonyms
Bifendate Impurity A1181519-47-0R8F88SC626AKOS008132894N-(5-(2-Methylbenzyl)thiazol-2-yl)-3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamideZ4244008681,2,3-Benzotriazine-3(4H)-propanamide, N-[5-[(2-methylphenyl)methyl]-2-thiazolyl]-4-oxoN-[5-[(2-Methylphenyl)methyl]-2-thiazolyl]-4-oxo-1,2,3-benzotriazine-3(4H)-propanamideBifendate Impurity 61,2,3-Benzotriazine-3(4H)-propanamide, N-[5-[(2-methylphenyl)methyl]-2-thiazolyl]-4-oxo-
Database identifiers
- CAS
1181519-47-0- PubChem CID
- 45895258
- UNII
- R8F88SC626
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Chemistry & industry
Applications
UsesN-[5-[(2-Methylphenyl)methyl]-2-thiazolyl]-4-oxo-1,2,3-benzotriazine-3(4H)-propanamide, is an impurity of Bifendate (B382890), a synthetic intermediate of Schisandrin C and also a anti-HBV drug used in the treatment of chronic hepatitis B.
Suppliers13 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
深圳市洛克生化科技有限公司0755-83552066 15986688328 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
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Compound notes
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