![4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid structure](/static/products/7167/7167-34-2.webp)
4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid
TL;DR: 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid (CAS 7167-34-2) is a chemical compound with molecular formula C17H10ClF2NO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid
Also Known As: 4-[[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid, 4-({[3-chloro-6-(difluoromethoxy)-1-benzothiophen-2-yl]carbonyl}amino)benzoic acid, 4-[[3-chloro-6-(difluoromethoxy)benzothiophene-2-carbonyl]amino]benzoic Acid, 4-[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carboxamido]benzoic acid
| Molecular Formula | C17H10ClF2NO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 5.1066 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.99872 |
| Heavy Atoms | 26 |
| Complexity | 988.3416 |
Chemical Identifiers
| CAS Number | 7167-34-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC(F)F)Cl |
Product Overview
4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid (CAS 7167-34-2), with molecular formula C17H10ClF2NO4S and molecular weight 397.00 g/mol. IUPAC: 4-[[3-chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid.
Chemical Property Profile of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid
Property Insights of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid
The XLogP value of 5.1066 indicates that 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid?
The CAS number of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid is 7167-34-2.
What is the molecular formula of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid?
The molecular formula of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid is C17H10ClF2NO4S.
What is the molecular weight of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid?
The molecular weight of 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid is 397.00 g/mol.
Where can I buy 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid?
You can request a quote for 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-Chloro-6-(difluoromethoxy)-1-benzothiophene-2-carbonyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.