Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate
TL;DR: Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate (CAS 54845-40-8) 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-(3-methoxyphenyl)acetate
Also Known As: methyl 2-hydroxy-2-(3-methoxyphenyl)acetate, Methyl m-methoxymandelate, Methyl-m-methoxymandelate, Benzeneacetic acid, methyl ester, Methyl 2-(3-methoxyphenyl)glycolate
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 54845-40-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(C(=O)OC)O |
| InChIKey | WTOMYBNSWGVPAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate (CAS 54845-40-8), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 2-hydroxy-2-(3-methoxyphenyl)acetate.
Chemical Property Profile of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate
Property Insights of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-2-(3-methoxyphenyl)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 2-hydroxy-2-(3-methoxyphenyl)acetate?
The CAS number of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate is 54845-40-8.
What is the molecular formula of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate?
The molecular formula of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate is C10H12O4.
What is the molecular weight of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate?
The molecular weight of Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate is 196.07 g/mol.
Where can I buy Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate?
You can request a quote for Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-2-(3-methoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.