3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide (CAS 116454-50-3) is a chemical compound with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide, BAS 02286818, AB00104856-01, N-(3,4-dimethoxyphenyl)(3-chlorobenzo[b]thiophen-2-yl)carboxamide, 3-Chloro-benzo[b]thiophene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide
| Molecular Formula | C17H14ClNO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0383 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 116454-50-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC |
| InChIKey | NQRLMOOOVVZDBY-UHFFFAOYSA-N |
Product Overview
3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide (CAS 116454-50-3), with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol. IUPAC: 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.7 indicates that 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is 116454-50-3.
What is the molecular formula of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is C17H14ClNO3S.
What is the molecular weight of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide is 347.04 g/mol.
Where can I buy 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3,4-dimethoxyphenyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.