Phenyl methoxyacetate
TL;DR: Phenyl methoxyacetate (CAS 16839-92-2) 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.
phenyl 2-methoxyacetate
Also Known As: phenyl 2-methoxyacetate, Phenyl methoxyacetate, Phenyl methoxyacetate #, Acetic acid, methoxy-, phenyl ester, Acetic acid, 2-methoxy-, phenyl ester
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 16839-92-2 |
|---|---|
| SMILES | COCC(=O)OC1=CC=CC=C1 |
| InChIKey | RRGKOFFIQZTPRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl methoxyacetate (CAS 16839-92-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: phenyl 2-methoxyacetate.
Chemical Property Profile of Phenyl methoxyacetate
Property Insights of Phenyl methoxyacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl methoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Phenyl methoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl methoxyacetate has 0 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 Phenyl methoxyacetate?
The CAS number of Phenyl methoxyacetate is 16839-92-2.
What is the molecular formula of Phenyl methoxyacetate?
The molecular formula of Phenyl methoxyacetate is C9H10O3.
What is the molecular weight of Phenyl methoxyacetate?
The molecular weight of Phenyl methoxyacetate is 166.06 g/mol.
Where can I buy Phenyl methoxyacetate?
You can request a quote for Phenyl methoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl methoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl methoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.