![3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide structure](/static/products/1620/162091-01-2.webp)
3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide (CAS 162091-01-2) is a chemical compound with molecular formula C16H11ClFNOS and molecular weight 319.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-(4-fluorobenzyl)-1-benzothiophene-2-carboxamide, 3-Chloro-N-(4-fluorobenzyl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(4-fluorophenyl)methyl]benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-[(4-fluorophenyl)methyl]carboxamide
| Molecular Formula | C16H11ClFNOS |
|---|---|
| Molecular Weight | 319.02 g/mol |
| LogP | 4.6238 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.02338 |
| Heavy Atoms | 21 |
| Complexity | 797.6471 |
Chemical Identifiers
| CAS Number | 162091-01-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CC=C(C=C3)F)Cl |
Product Overview
3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide (CAS 162091-01-2), with molecular formula C16H11ClFNOS and molecular weight 319.02 g/mol. IUPAC: 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
The XLogP value of 4.6238 indicates that 3-chloro-N-[(4-fluorophenyl)methyl]-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, 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 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 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide is 162091-01-2.
What is the molecular formula of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide is C16H11ClFNOS.
What is the molecular weight of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide is 319.02 g/mol.
Where can I buy 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[(4-fluorophenyl)methyl]-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 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.