Methyl (4-Hydroxybenzoyl)acetate
TL;DR: Methyl (4-Hydroxybenzoyl)acetate (CAS 32066-29-8) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-hydroxyphenyl)-3-oxopropanoate, Methyl (4-Hydroxybenzoyl)acetate, 4-HYDROXYBENZOYLACETIC ACID METHYL ESTER, methyl 4-hydroxybenzoylacetate, Methyl(4-Hydroxybenzoyl)acetate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 32066-29-8 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)O |
| InChIKey | VZOFEVHSVUBEPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (4-Hydroxybenzoyl)acetate (CAS 32066-29-8), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl (4-Hydroxybenzoyl)acetate
Property Insights of Methyl (4-Hydroxybenzoyl)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-Hydroxybenzoyl)acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-Hydroxybenzoyl)acetate. Following Lipinski's Rule of Five, Methyl (4-Hydroxybenzoyl)acetate 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 Methyl (4-Hydroxybenzoyl)acetate?
The CAS number of Methyl (4-Hydroxybenzoyl)acetate is 32066-29-8.
What is the molecular formula of Methyl (4-Hydroxybenzoyl)acetate?
The molecular formula of Methyl (4-Hydroxybenzoyl)acetate is C10H10O4.
What is the molecular weight of Methyl (4-Hydroxybenzoyl)acetate?
The molecular weight of Methyl (4-Hydroxybenzoyl)acetate is 194.06 g/mol.
Where can I buy Methyl (4-Hydroxybenzoyl)acetate?
You can request a quote for Methyl (4-Hydroxybenzoyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (4-Hydroxybenzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-Hydroxybenzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.