Methyl 3-phenylbutanoate
TL;DR: Methyl 3-phenylbutanoate (CAS 1441-20-9) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylbutanoate
Also Known As: Methyl 3-phenylbutanoate, Methyl 3-phenylbutyrate, 3-Phenylbutanoic acid methyl ester, METHYL-3-PHENYLBUTYRATE, Methyl (R)-3-phenylbutyrate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1441-20-9 |
|---|---|
| SMILES | CC(CC(=O)OC)C1=CC=CC=C1 |
| InChIKey | DSWKGCIHFICHAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-phenylbutanoate (CAS 1441-20-9), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: methyl 3-phenylbutanoate.
Chemical Property Profile of Methyl 3-phenylbutanoate
Property Insights of Methyl 3-phenylbutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenylbutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenylbutanoate has 0 hydrogen bond donor(s) and 2 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-phenylbutanoate?
The CAS number of Methyl 3-phenylbutanoate is 1441-20-9.
What is the molecular formula of Methyl 3-phenylbutanoate?
The molecular formula of Methyl 3-phenylbutanoate is C11H14O2.
What is the molecular weight of Methyl 3-phenylbutanoate?
The molecular weight of Methyl 3-phenylbutanoate is 178.10 g/mol.
Where can I buy Methyl 3-phenylbutanoate?
You can request a quote for Methyl 3-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.