4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
TL;DR: 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid (CAS 40133-08-2) 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-1-benzothiophene-2-carboxylic acid
Also Known As: 4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid, 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, 2-Chloro-4-fluoroanisole, Benzo[b]thiophene-2-carboxylic acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.3251 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 290.8285 |
Chemical Identifiers
| CAS Number | 40133-08-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C=C(S2)C(=O)O |
Product Overview
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid (CAS 40133-08-2), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
Property Insights of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
The XLogP value of 2.3251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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-1-benzothiophene-2-carboxylic acid?
The CAS number of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid is 40133-08-2.
What is the molecular formula of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid is C9H10O2S.
What is the molecular weight of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid is 182.04 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 4,5,6,7-Tetrahydro-1-benzothiophene-2-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-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.