2-(1-Benzothiophen-2-yl)benzoic acid
TL;DR: 2-(1-Benzothiophen-2-yl)benzoic acid (CAS 6798-16-9) is a chemical compound with molecular formula C15H10O2S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-2-yl)benzoic acid
Also Known As: 2-(1-benzothiophen-2-yl)benzoic acid, 2-(1-Benzothien-2-yl)benzoic acid, 2-benzothiophen-2-ylbenzoic Acid, 2-[BENZO(B)THIOPHEN-2-YL]BENZOIC ACID, 2-(benzothiophen-2-yl)benzoic acid
| Molecular Formula | C15H10O2S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 4.2665 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.04015 |
| Heavy Atoms | 18 |
| Complexity | 694.9466 |
Chemical Identifiers
| CAS Number | 6798-16-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC=CC=C3C(=O)O |
Product Overview
2-(1-Benzothiophen-2-yl)benzoic acid (CAS 6798-16-9), with molecular formula C15H10O2S and molecular weight 254.04 g/mol. IUPAC: 2-(1-benzothiophen-2-yl)benzoic acid.
Chemical Property Profile of 2-(1-Benzothiophen-2-yl)benzoic acid
Property Insights of 2-(1-Benzothiophen-2-yl)benzoic acid
The XLogP value of 4.2665 indicates that 2-(1-Benzothiophen-2-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(1-Benzothiophen-2-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Benzothiophen-2-yl)benzoic 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 2-(1-Benzothiophen-2-yl)benzoic acid?
The CAS number of 2-(1-Benzothiophen-2-yl)benzoic acid is 6798-16-9.
What is the molecular formula of 2-(1-Benzothiophen-2-yl)benzoic acid?
The molecular formula of 2-(1-Benzothiophen-2-yl)benzoic acid is C15H10O2S.
What is the molecular weight of 2-(1-Benzothiophen-2-yl)benzoic acid?
The molecular weight of 2-(1-Benzothiophen-2-yl)benzoic acid is 254.04 g/mol.
Where can I buy 2-(1-Benzothiophen-2-yl)benzoic acid?
You can request a quote for 2-(1-Benzothiophen-2-yl)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-(1-Benzothiophen-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzothiophen-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.