3-苯基-2-巯基丙酸
TL;DR: 3-苯基-2-巯基丙酸 (CAS 90536-15-5) is a chemical compound with molecular formula C9H10O2S and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基-2-巯基丙酸
3-phenyl-2-sulfanylpropanoic acid
Also Known As: 3-phenyl-2-sulfanylpropanoic acid, pd 145305, Benzylthioglykolsaure, Benzylmercaptoacetic acid, 3-phenyl-2-sulfanyl-propanoic Acid
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 90536-15-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)S |
| InChIKey | HGIOOMCLOWLFTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基-2-巯基丙酸 (CAS 90536-15-5), with molecular formula C9H10O2S and molecular weight 182.04 g/mol. IUPAC: 3-phenyl-2-sulfanylpropanoic acid.
Chemical Property Profile of 3-苯基-2-巯基丙酸
Property Insights of 3-苯基-2-巯基丙酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基-2-巯基丙酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-苯基-2-巯基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-sulfanylpropanoic 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 3-Phenyl-2-sulfanylpropanoic acid?
The CAS number of 3-Phenyl-2-sulfanylpropanoic acid is 90536-15-5.
What is the molecular formula of 3-Phenyl-2-sulfanylpropanoic acid?
The molecular formula of 3-Phenyl-2-sulfanylpropanoic acid is C9H10O2S.
What is the molecular weight of 3-Phenyl-2-sulfanylpropanoic acid?
The molecular weight of 3-Phenyl-2-sulfanylpropanoic acid is 182.04 g/mol.
Where can I buy 3-Phenyl-2-sulfanylpropanoic acid?
You can request a quote for 3-Phenyl-2-sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.