Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester
TL;DR: Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester (CAS 54845-39-5) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
Also Known As: Methyl p-hydroxyphenyllactate, Methyl 4-hydroxyphenyllactate, methyl4-hydroxyphenyllactate, Methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate, Methyl 2-hydroxy-3-(4-hydroxyphenyl)propanoate
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 54845-39-5 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)O)(C(=O)OC)O |
| InChIKey | MVPSRTNYIXVQOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester (CAS 54845-39-5), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester
Property Insights of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester has 2 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, alpha,4-dihydroxy-alpha-methyl-, methyl ester?
The CAS number of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester is 54845-39-5.
What is the molecular formula of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester?
The molecular formula of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester is C10H12O4.
What is the molecular weight of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester?
The molecular weight of Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester is 196.07 g/mol.
Where can I buy Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester?
You can request a quote for Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, 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, alpha,4-dihydroxy-alpha-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,4-dihydroxy-alpha-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.