4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
TL;DR: 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid (CAS 6435-75-2) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
Also Known As: 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid, AURAMINEG, 4,5,6,7-Tetrahydrobenzo[c]thiophene-1-carboxylic acid, CHEMBRDG-BB 4402365, 2-Carboxy-tetrahydro-benzo
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6435-75-2 |
|---|---|
| SMILES | C1CCC2=C(SC=C2C1)C(=O)O |
| InChIKey | ZBNTUDLPJCXPNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid (CAS 6435-75-2), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid.
Chemical Property Profile of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
Property Insights of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid has 1 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 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid?
The CAS number of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid is 6435-75-2.
What is the molecular formula of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid?
The molecular formula of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid is C9H10O2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid?
The molecular weight of 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid is 182.04 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid?
You can request a quote for 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.