3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid
TL;DR: 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid (CAS 162794-83-4) is a chemical compound with molecular formula C11H8O6 and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid
Also Known As: 2-hydroxy-3-carboxybenzylidenepyruvic acid
| Molecular Formula | C11H8O6 |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.03209 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 162794-83-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)O)C=CC(=O)C(=O)O |
| InChIKey | NCSHNHYNPKPIAU-UHFFFAOYSA-N |
Product Overview
3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid (CAS 162794-83-4), with molecular formula C11H8O6 and molecular weight 236.03 g/mol. IUPAC: 3-(3-carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid.
Chemical Property Profile of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid
Property Insights of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid has 3 hydrogen bond donor(s) and 6 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-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid?
The CAS number of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid is 162794-83-4.
What is the molecular formula of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid?
The molecular formula of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid is C11H8O6.
What is the molecular weight of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid?
The molecular weight of 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid is 236.03 g/mol.
Where can I buy 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid?
You can request a quote for 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Carboxy-3-oxoprop-1-enyl)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.