3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide (CAS 308293-90-5) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide, AN-329/40529548, 3-chloro-N-{3-nitro-2-methylphenyl}-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(2-methyl-3-nitrophenyl)carboxamide, 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzo[b]thiophene-2-carboxamide
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 308293-90-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | LVLWONLTBFOPLX-UHFFFAOYSA-N |
Product Overview
3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide (CAS 308293-90-5), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.9 indicates that 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-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 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide is 308293-90-5.
What is the molecular formula of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide is C16H11ClN2O3S.
What is the molecular weight of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide is 346.02 g/mol.
Where can I buy 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(2-methyl-3-nitrophenyl)-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-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(2-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.