7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
TL;DR: 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid (CAS 187097-46-7) is a chemical compound with molecular formula C9H8O3S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxo-5,6-dihydro-4H-1-benzothiophene-5-carboxylic acid
Also Known As: 7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid, AP-836/41220363, 7-oxo-5,6-dihydro-4H-1-benzothiophene-5-carboxylic acid, 7-oxo-4,5,6-trihydrobenzo[b]thiophene-5-carboxylic acid, 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylic acid
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 1.5778 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 366.69165 |
Chemical Identifiers
| CAS Number | 187097-46-7 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1C=CS2)C(=O)O |
Product Overview
7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid (CAS 187097-46-7), with molecular formula C9H8O3S and molecular weight 196.02 g/mol. IUPAC: 7-oxo-5,6-dihydro-4H-1-benzothiophene-5-carboxylic acid.
Chemical Property Profile of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
Property Insights of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
The XLogP value of 1.5778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-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 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid?
The CAS number of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid is 187097-46-7.
What is the molecular formula of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid?
The molecular formula of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid is C9H8O3S.
What is the molecular weight of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid?
The molecular weight of 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid is 196.02 g/mol.
Where can I buy 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid?
You can request a quote for 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.