Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester
TL;DR: Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester (CAS 38250-16-7) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-hydroxyphenyl)-2-oxoacetate
Also Known As: methyl 2-(4-hydroxyphenyl)-2-oxoacetate, Methyl 4-hydroxybenzoylcarboxylate, methyl p-hydroxyphenylglyoxylate, 4-Hydroxyphenyloxoacetic acid methyl ester, Methyl (4-hydroxyphenyl)(oxo)acetate
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.7479 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 325.97287 |
Chemical Identifiers
| CAS Number | 38250-16-7 |
|---|---|
| SMILES | COC(=O)C(=O)C1=CC=C(C=C1)O |
Product Overview
Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester (CAS 38250-16-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: methyl 2-(4-hydroxyphenyl)-2-oxoacetate.
Chemical Property Profile of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester
Property Insights of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester
The XLogP value of 0.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester has 1 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester?
The CAS number of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester is 38250-16-7.
What is the molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester is C9H8O4.
What is the molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester is 180.04 g/mol.
Where can I buy Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.