N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide
TL;DR: N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide (CAS 444933-59-9) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide
Also Known As: N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide, N-{4-chloro-3-nitrophenyl}-1-benzothiophene-3-carboxamide
| Molecular Formula | C15H9ClN2O3S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.7152 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.00223 |
| Heavy Atoms | 22 |
| Complexity | 891.3799 |
Chemical Identifiers
| CAS Number | 444933-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide (CAS 444933-59-9), with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide
Property Insights of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide
The XLogP value of 4.7152 indicates that N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide 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 N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide?
The CAS number of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide is 444933-59-9.
What is the molecular formula of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide?
The molecular formula of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide is C15H9ClN2O3S.
What is the molecular weight of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide?
The molecular weight of N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide is 332.00 g/mol.
Where can I buy N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide?
You can request a quote for N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-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-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-3-nitrophenyl)-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.