Methyl 4-(benzyloxy)butanoate
TL;DR: Methyl 4-(benzyloxy)butanoate (CAS 53656-81-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-phenylmethoxybutanoate
Also Known As: Methyl 4-(benzyloxy)butanoate, methyl 4-phenylmethoxybutanoate, 4- butyricacidmethylester, methyl 4-benzyloxybutyrate, methyl 4-benzyloxybutanoate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 53656-81-8 |
|---|---|
| SMILES | COC(=O)CCCOCC1=CC=CC=C1 |
| InChIKey | HYPAAZHXIYWJBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(benzyloxy)butanoate (CAS 53656-81-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 4-phenylmethoxybutanoate.
Chemical Property Profile of Methyl 4-(benzyloxy)butanoate
Property Insights of Methyl 4-(benzyloxy)butanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(benzyloxy)butanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-(benzyloxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(benzyloxy)butanoate 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 4-(benzyloxy)butanoate?
The CAS number of Methyl 4-(benzyloxy)butanoate is 53656-81-8.
What is the molecular formula of Methyl 4-(benzyloxy)butanoate?
The molecular formula of Methyl 4-(benzyloxy)butanoate is C12H16O3.
What is the molecular weight of Methyl 4-(benzyloxy)butanoate?
The molecular weight of Methyl 4-(benzyloxy)butanoate is 208.11 g/mol.
Where can I buy Methyl 4-(benzyloxy)butanoate?
You can request a quote for Methyl 4-(benzyloxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(benzyloxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(benzyloxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.