3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide (CAS 6124-03-4) is a chemical compound with molecular formula C17H13ClN2O4S and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide, BAS 01516951, BIM-0000631.P001, (3-chloro-6-methylbenzo[b]thiophen-2-yl)-N-(4-methoxy-2-nitrophenyl)carboxamid e, 3-chloro-N-{2-nitro-4-methoxyphenyl}-6-methyl-1-benzothiophene-2-carboxamide
| Molecular Formula | C17H13ClN2O4S |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 5.03222 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.02844 |
| Heavy Atoms | 25 |
| Complexity | 999.7217 |
Chemical Identifiers
| CAS Number | 6124-03-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])Cl |
Product Overview
3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide (CAS 6124-03-4), with molecular formula C17H13ClN2O4S and molecular weight 376.03 g/mol. IUPAC: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide
The XLogP value of 5.03222 indicates that 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide is 6124-03-4.
What is the molecular formula of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide is C17H13ClN2O4S.
What is the molecular weight of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide is 376.03 g/mol.
Where can I buy 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-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-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.