Basic information
- CAS
100827-77-8- Standard SMILES
COC(=O)CCc1cc(C(=O)c2ccccc2Cl)c(N)s1- InChIKey
LZTUUSFBUKOHGQ-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO3S
- Average molar mass
- 323.8 g/mol
- Monoisotopic mass
- 323.0382922
Names & identifiers
- Preferred name
- 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene
- IUPAC
- methyl 3-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate
- English name
- 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene
- Molecular formula
- C15H14ClNO3S
- Molecular weight
- 323.79
Names & synonyms
100827-77-82-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiopheneMethyl 3-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester5-Amino-4-(2-chlorobenzoyl)-2-thiophenepropanoic Acid Methyl EsterSCHEMBL9043186DTXSID10546343MFCD16251186AKOS027446396DB-292612methyl 3-[5-amino-4-(2-chlorobenzoyl)-2-thienyl]propanoate
Database identifiers
- CAS
100827-77-8- PubChem CID
- 13670764
- DTXSID
DTXSID10546343
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Yellow Solid (Paste)
Chemistry & industry
Applications
UsesIntermediate in the preparation of platelet-activating factor (PAF) antagonists
Suppliers7 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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