![3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid structure](/static/products/830/830342-28-4.png)
3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid
TL;DR: 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid (CAS 830342-28-4) is a chemical compound with molecular formula C16H11NO3S and molecular weight 297.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzothiophene-3-carbonylamino)benzoic acid
Also Known As: 3-[(1-benzothiophen-3-ylcarbonyl)amino]benzoic acid, 3-(benzothiophene-3-carbonylamino)benzoic Acid, 3-(benzo[b]thiophene-3-carboxamido)benzoic acid, 3-(1-benzothiophene-3-carbonylamino)benzoic acid, 3-(benzo[b]thiophen-3-ylcarbonylamino)benzoic acid
| Molecular Formula | C16H11NO3S |
|---|---|
| Molecular Weight | 297.05 g/mol |
| LogP | 3.8518 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.04596 |
| Heavy Atoms | 21 |
| Complexity | 838.1642 |
Chemical Identifiers
| CAS Number | 830342-28-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid (CAS 830342-28-4), with molecular formula C16H11NO3S and molecular weight 297.05 g/mol. IUPAC: 3-(1-benzothiophene-3-carbonylamino)benzoic acid.
Chemical Property Profile of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid
Property Insights of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid
The XLogP value of 3.8518 indicates that 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 3 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-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid?
The CAS number of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid is 830342-28-4.
What is the molecular formula of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid?
The molecular formula of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid is C16H11NO3S.
What is the molecular weight of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid?
The molecular weight of 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid is 297.05 g/mol.
Where can I buy 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid?
You can request a quote for 3-[(1-Benzothiophen-3-ylcarbonyl)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 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-Benzothiophen-3-ylcarbonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.