2-Hydroxybenzalpyruvate
TL;DR: 2-Hydroxybenzalpyruvate (CAS 90293-62-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Also Known As: 2-Hydroxybenzalpyruvate, ortho-Hydroxybenzalpyruvate, 2'-Hydroxybenzalpyruvic acid, Trans-O-hydroxybenzylidenepyruvate, 4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.0591 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 392.8634 |
Chemical Identifiers
| CAS Number | 90293-62-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C(=O)C(=O)O)O |
Product Overview
2-Hydroxybenzalpyruvate (CAS 90293-62-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: (E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 2-Hydroxybenzalpyruvate
Property Insights of 2-Hydroxybenzalpyruvate
The XLogP value of 1.0591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxybenzalpyruvate. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxybenzalpyruvate. Following Lipinski's Rule of Five, 2-Hydroxybenzalpyruvate 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-Hydroxybenzalpyruvate?
The CAS number of 2-Hydroxybenzalpyruvate is 90293-62-2.
What is the molecular formula of 2-Hydroxybenzalpyruvate?
The molecular formula of 2-Hydroxybenzalpyruvate is C10H8O4.
What is the molecular weight of 2-Hydroxybenzalpyruvate?
The molecular weight of 2-Hydroxybenzalpyruvate is 192.04 g/mol.
Where can I buy 2-Hydroxybenzalpyruvate?
You can request a quote for 2-Hydroxybenzalpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxybenzalpyruvate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxybenzalpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.