2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid
TL;DR: 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid (CAS 1383706-92-0) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-4-oxopent-2-en-3-yl)benzoic acid
Also Known As: 2-(1-acetyl-2-hydroxypropenyl)benzoic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.2628 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 467.66205 |
Chemical Identifiers
| CAS Number | 1383706-92-0 |
|---|---|
| SMILES | CC(=C(C1=CC=CC=C1C(=O)O)C(=O)C)O |
Product Overview
2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid (CAS 1383706-92-0), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2-(2-hydroxy-4-oxopent-2-en-3-yl)benzoic acid.
Chemical Property Profile of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid
Property Insights of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid
The XLogP value of 2.2628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic 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-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid?
The CAS number of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid is 1383706-92-0.
What is the molecular formula of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid?
The molecular formula of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid is C12H12O4.
What is the molecular weight of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid?
The molecular weight of 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid is 220.07 g/mol.
Where can I buy 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid?
You can request a quote for 2-(2-Hydroxy-4-oxopent-2-en-3-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-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxy-4-oxopent-2-en-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.