2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
TL;DR: 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid (CAS 175203-98-2) is a chemical compound with molecular formula C17H12O3S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid
Also Known As: Maybridge1_005589, DivK1c_001877, 2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid, 2-[(3-methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid, CDS1_000837
| Molecular Formula | C17H12O3S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 4.13892 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.05072 |
| Heavy Atoms | 21 |
| Complexity | 861.35266 |
Chemical Identifiers
| CAS Number | 175203-98-2 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid (CAS 175203-98-2), with molecular formula C17H12O3S and molecular weight 296.05 g/mol. IUPAC: 2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid.
Chemical Property Profile of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
Property Insights of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
The XLogP value of 4.13892 indicates that 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic 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 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid?
The CAS number of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid is 175203-98-2.
What is the molecular formula of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid?
The molecular formula of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid is C17H12O3S.
What is the molecular weight of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid?
The molecular weight of 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid is 296.05 g/mol.
Where can I buy 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid?
You can request a quote for 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.