2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid
TL;DR: 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid (CAS 50826-20-5) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
Also Known As: 2-(1-benzothien-2-yl)-2-hydroxypropanoic acid, 2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid, AI-942/13331532, 2-benzo[b]thiophen-2-yl-2-hydroxypropanoic acid, 2-(Benzo[b]thiophen-2-yl)-2-hydroxypropanoic acid
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.1934 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 480.28232 |
Chemical Identifiers
| CAS Number | 50826-20-5 |
|---|---|
| SMILES | CC(C1=CC2=CC=CC=C2S1)(C(=O)O)O |
Product Overview
2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid (CAS 50826-20-5), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid.
Chemical Property Profile of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid
Property Insights of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid
The XLogP value of 2.1934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid has 2 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-(1-Benzothien-2-yl)-2-hydroxypropanoic acid?
The CAS number of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid is 50826-20-5.
What is the molecular formula of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid?
The molecular formula of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid is C11H10O3S.
What is the molecular weight of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid?
The molecular weight of 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid is 222.04 g/mol.
Where can I buy 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid?
You can request a quote for 2-(1-Benzothien-2-yl)-2-hydroxypropanoic 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-Benzothien-2-yl)-2-hydroxypropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzothien-2-yl)-2-hydroxypropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.