Methyl 3-phenoxypropionate
TL;DR: Methyl 3-phenoxypropionate (CAS 7497-89-4) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenoxypropanoate
Also Known As: Methyl 3-phenoxypropanoate, Methyl 3-phenoxypropionate, Methyl3-phenoxypropanoate, methyl-3-phenoxypropanoate, Propanoic acid, methyl ester
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 7497-89-4 |
|---|---|
| SMILES | COC(=O)CCOC1=CC=CC=C1 |
| InChIKey | VOLURMJMDOHTGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-phenoxypropionate (CAS 7497-89-4), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: methyl 3-phenoxypropanoate.
Chemical Property Profile of Methyl 3-phenoxypropionate
Property Insights of Methyl 3-phenoxypropionate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenoxypropionate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-phenoxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenoxypropionate 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 Methyl 3-phenoxypropionate?
The CAS number of Methyl 3-phenoxypropionate is 7497-89-4.
What is the molecular formula of Methyl 3-phenoxypropionate?
The molecular formula of Methyl 3-phenoxypropionate is C10H12O3.
What is the molecular weight of Methyl 3-phenoxypropionate?
The molecular weight of Methyl 3-phenoxypropionate is 180.08 g/mol.
Where can I buy Methyl 3-phenoxypropionate?
You can request a quote for Methyl 3-phenoxypropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenoxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.