Methyl 3-(benzyloxy)propanoate
TL;DR: Methyl 3-(benzyloxy)propanoate (CAS 53697-18-0) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylmethoxypropanoate
Also Known As: Methyl 3-(benzyloxy)propanoate, methyl 3-phenylmethoxypropanoate, n-tritylglycinehydrazide, 3-BENZYLOXY-PROPIONIC ACID METHYL ESTER, Methyl3-(benzyloxy)propanoate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 53697-18-0 |
|---|---|
| SMILES | COC(=O)CCOCC1=CC=CC=C1 |
| InChIKey | PLLAGNDLRNXFLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(benzyloxy)propanoate (CAS 53697-18-0), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: methyl 3-phenylmethoxypropanoate.
Chemical Property Profile of Methyl 3-(benzyloxy)propanoate
Property Insights of Methyl 3-(benzyloxy)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(benzyloxy)propanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-(benzyloxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(benzyloxy)propanoate 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-(benzyloxy)propanoate?
The CAS number of Methyl 3-(benzyloxy)propanoate is 53697-18-0.
What is the molecular formula of Methyl 3-(benzyloxy)propanoate?
The molecular formula of Methyl 3-(benzyloxy)propanoate is C11H14O3.
What is the molecular weight of Methyl 3-(benzyloxy)propanoate?
The molecular weight of Methyl 3-(benzyloxy)propanoate is 194.09 g/mol.
Where can I buy Methyl 3-(benzyloxy)propanoate?
You can request a quote for Methyl 3-(benzyloxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(benzyloxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(benzyloxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.