![3-Benzo[b]thiophen-2-ylbenzoic acid structure](/static/products/1023/1023489-08-8.webp)
3-Benzo[b]thiophen-2-ylbenzoic acid
TL;DR: 3-Benzo[b]thiophen-2-ylbenzoic acid (CAS 1023489-08-8) is a chemical compound with molecular formula C15H10O2S and molecular weight 254.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzothiophen-2-yl)benzoic acid
Also Known As: 3-benzo[b]thiophen-2-ylbenzoic acid, 3-(1-benzothiophen-2-yl)benzoic acid, 3-(1-Benzothien-2-yl)benzoic acid, 3-benzothiophen-2-ylbenzoic Acid, 3-(benzothiophen-2-yl)benzoic acid
Technical Specifications
| Molecular Formula | C15H10O2S |
| Molecular Weight | 254.04015 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.04015 Da |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC(=CC=C3)C(=O)O |
| InChIKey | CTTFAKUTKPBJPY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Benzo[b]thiophen-2-ylbenzoic acid
Property Insights of 3-Benzo[b]thiophen-2-ylbenzoic acid
The XLogP value of 4.1 indicates that 3-Benzo[b]thiophen-2-ylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzo[b]thiophen-2-ylbenzoic acid. Following Lipinski's Rule of Five, 3-Benzo[b]thiophen-2-ylbenzoic 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
What is the CAS number of 3-Benzo[b]thiophen-2-ylbenzoic acid?
The CAS number of 3-Benzo[b]thiophen-2-ylbenzoic acid is 1023489-08-8.
What is the molecular formula of 3-Benzo[b]thiophen-2-ylbenzoic acid?
The molecular formula of 3-Benzo[b]thiophen-2-ylbenzoic acid is C15H10O2S.
What is the molecular weight of 3-Benzo[b]thiophen-2-ylbenzoic acid?
The molecular weight of 3-Benzo[b]thiophen-2-ylbenzoic acid is 254.04015 g/mol.
Where can I buy 3-Benzo[b]thiophen-2-ylbenzoic acid?
You can request a quote for 3-Benzo[b]thiophen-2-ylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Benzo[b]thiophen-2-ylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Benzo[b]thiophen-2-ylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.