![2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide structure](/static/products/7218/721892-21-3.webp)
2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide
TL;DR: 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide (CAS 721892-21-3) is a chemical compound with molecular formula C17H16Cl2N2O2S and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroacetyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide, 2-(2-Chloroacetamido)-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-(2-chloroacetamido)-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2-chloroacetyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-Chloroacetamido)-N-(4-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
| Molecular Formula | C17H16Cl2N2O2S |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 4.7099 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.03094 |
| Heavy Atoms | 24 |
| Complexity | 771.6429 |
Chemical Identifiers
| CAS Number | 721892-21-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide (CAS 721892-21-3), with molecular formula C17H16Cl2N2O2S and molecular weight 382.03 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide
Property Insights of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide
The XLogP value of 4.7099 indicates that 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide has 2 hydrogen bond donor(s) and 3 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 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide?
The CAS number of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide is 721892-21-3.
What is the molecular formula of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide?
The molecular formula of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide is C17H16Cl2N2O2S.
What is the molecular weight of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide?
The molecular weight of 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide is 382.03 g/mol.
Where can I buy 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide?
You can request a quote for 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid (4-chloro-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.