Methyl 3-Hydroxyphenylacetate
TL;DR: Methyl 3-Hydroxyphenylacetate (CAS 42058-59-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-hydroxyphenyl)acetate
Also Known As: methyl 2-(3-hydroxyphenyl)acetate, 3-Hydroxyphenylacetic Acid Methyl Ester, METHYL 3-HYDROXYPHENYLACETATE, Methyl 3-hydroxyphenyl acetate, Methyl (3-hydroxyphenyl)acetate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 42058-59-3 |
|---|---|
| SMILES | COC(=O)CC1=CC(=CC=C1)O |
| InChIKey | AMDDOQIUPAINLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-Hydroxyphenylacetate (CAS 42058-59-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 2-(3-hydroxyphenyl)acetate.
Chemical Property Profile of Methyl 3-Hydroxyphenylacetate
Property Insights of Methyl 3-Hydroxyphenylacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Hydroxyphenylacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-Hydroxyphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Hydroxyphenylacetate has 1 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 Methyl 3-Hydroxyphenylacetate?
The CAS number of Methyl 3-Hydroxyphenylacetate is 42058-59-3.
What is the molecular formula of Methyl 3-Hydroxyphenylacetate?
The molecular formula of Methyl 3-Hydroxyphenylacetate is C9H10O3.
What is the molecular weight of Methyl 3-Hydroxyphenylacetate?
The molecular weight of Methyl 3-Hydroxyphenylacetate is 166.06 g/mol.
Where can I buy Methyl 3-Hydroxyphenylacetate?
You can request a quote for Methyl 3-Hydroxyphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Hydroxyphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Hydroxyphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.