2-(3-Hydroxybenzylidene)butanoic acid
TL;DR: 2-(3-Hydroxybenzylidene)butanoic acid (CAS 59150-87-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-hydroxyphenyl)methylidene]butanoic acid
Also Known As: 2-(3-Hydroxybenzylidene)butanoic acid, 2-[(3-hydroxyphenyl)methylidene]butanoic Acid
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 59150-87-7 |
|---|---|
| SMILES | CCC(=CC1=CC(=CC=C1)O)C(=O)O |
| InChIKey | JGVQTQGCFDAAOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Hydroxybenzylidene)butanoic acid (CAS 59150-87-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 2-[(3-hydroxyphenyl)methylidene]butanoic acid.
Chemical Property Profile of 2-(3-Hydroxybenzylidene)butanoic acid
Property Insights of 2-(3-Hydroxybenzylidene)butanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxybenzylidene)butanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(3-Hydroxybenzylidene)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxybenzylidene)butanoic 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-(3-Hydroxybenzylidene)butanoic acid?
The CAS number of 2-(3-Hydroxybenzylidene)butanoic acid is 59150-87-7.
What is the molecular formula of 2-(3-Hydroxybenzylidene)butanoic acid?
The molecular formula of 2-(3-Hydroxybenzylidene)butanoic acid is C11H12O3.
What is the molecular weight of 2-(3-Hydroxybenzylidene)butanoic acid?
The molecular weight of 2-(3-Hydroxybenzylidene)butanoic acid is 192.08 g/mol.
Where can I buy 2-(3-Hydroxybenzylidene)butanoic acid?
You can request a quote for 2-(3-Hydroxybenzylidene)butanoic 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-Hydroxybenzylidene)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydroxybenzylidene)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.