N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 727699-85-6) is a chemical compound with molecular formula C22H16ClNOS and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide, 3-Chloro-N-[2-(phenylmethyl)phenyl]benzo[b]thiophene-2-carboxamide
| Molecular Formula | C22H16ClNOS |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 6.3978 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.06412 |
| Heavy Atoms | 26 |
| Complexity | 1071.9072 |
Chemical Identifiers
| CAS Number | 727699-85-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 727699-85-6), with molecular formula C22H16ClNOS and molecular weight 377.06 g/mol. IUPAC: N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 6.3978 indicates that N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 727699-85-6.
What is the molecular formula of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is C22H16ClNOS.
What is the molecular weight of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 377.06 g/mol.
Where can I buy N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-benzylphenyl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.