Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester (CAS 76981-79-8) is a chemical compound with molecular formula C21H23NO3S and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester, ethyl 6-methyl-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 6-METHYL-2-[[(E)-3-PHENYLPROP-2-ENOYL]AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H23NO3S |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 4.7015 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.13986 |
| Heavy Atoms | 26 |
| Complexity | 823.2818 |
Chemical Identifiers
| CAS Number | 76981-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C=CC3=CC=CC=C3 |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester (CAS 76981-79-8), with molecular formula C21H23NO3S and molecular weight 369.14 g/mol. IUPAC: ethyl 6-methyl-2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester
The XLogP value of 4.7015 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester is 76981-79-8.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester is C21H23NO3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester is 369.14 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-((1-oxo-3-phenyl-2-propenyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.