N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 70453-71-3) is a chemical compound with molecular formula C17H12ClNO2S and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide, BAS 00642495, BIM-0000660.P001, F0359-0241, A1772/0075115
| Molecular Formula | C17H12ClNO2S |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.02774 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 70453-71-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | PKOPSSCTCHIJHC-UHFFFAOYSA-N |
Product Overview
N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 70453-71-3), with molecular formula C17H12ClNO2S and molecular weight 329.03 g/mol. IUPAC: N-(4-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 4.4 indicates that N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide has 1 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 N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 70453-71-3.
What is the molecular formula of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is C17H12ClNO2S.
What is the molecular weight of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 329.03 g/mol.
Where can I buy N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(4-Acetylphenyl)-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-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.