4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid
TL;DR: 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid (CAS 496017-53-9) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid
Also Known As: 4-(4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-AMIDO)BENZOIC ACID, 4-(4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamido)benzoic acid, 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid, 4-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarbonylamino)benzoic acid, 4-[(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)amino]benzoic acid
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.5774 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 688.04767 |
Chemical Identifiers
| CAS Number | 496017-53-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CS2)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid (CAS 496017-53-9), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)benzoic acid.
Chemical Property Profile of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid
Property Insights of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid
The XLogP value of 3.5774 indicates that 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)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 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid. Following Lipinski's Rule of Five, 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)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 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid?
The CAS number of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid is 496017-53-9.
What is the molecular formula of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid?
The molecular formula of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid is C16H15NO3S.
What is the molecular weight of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid?
The molecular weight of 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid is 301.08 g/mol.
Where can I buy 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid?
You can request a quote for 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)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-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,5,6,7-Tetrahydro-1-benzothiophene-3-amido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.