(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 438213-69-5) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: BAS 07778279, 6-Methyl-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid, (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.5711 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 340.694 |
Chemical Identifiers
| CAS Number | 438213-69-5 |
|---|---|
| SMILES | C[C@H]1CCC2=C(C1)SC=C2C(=O)O |
Product Overview
(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 438213-69-5), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 2.5711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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 (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 438213-69-5.
What is the molecular formula of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C10H12O2S.
What is the molecular weight of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 196.06 g/mol.
Where can I buy (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.