![2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid structure](/static/products/3135/313506-78-4.webp)
2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
TL;DR: 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid (CAS 313506-78-4) is a chemical compound with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Also Known As: Maybridge1_003932, 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid, 2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)benzoic acid, F0138-3929, 2-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonyl}benzoic acid
| Molecular Formula | C17H14N2O3S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.0725 |
| Heavy Atoms | 23 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 313506-78-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3C(=O)O)C#N |
| InChIKey | RCZITQUBOCVMBA-UHFFFAOYSA-N |
Product Overview
2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid (CAS 313506-78-4), with molecular formula C17H14N2O3S and molecular weight 326.07 g/mol. IUPAC: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
Property Insights of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid
The XLogP value of 3.8 indicates that 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid has 2 hydrogen bond donor(s) and 5 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 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid is 313506-78-4.
What is the molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid is C17H14N2O3S.
What is the molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid is 326.07 g/mol.
Where can I buy 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.