Methyl 3-oxo-4-phenylbutanoate
TL;DR: Methyl 3-oxo-4-phenylbutanoate (CAS 37779-49-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-4-phenylbutanoate
Also Known As: methyl 3-oxo-4-phenylbutanoate, null, methyl 3-oxo-4-phenylbutyrate, 3-Oxo-4-phenyl-butyric acid methyl ester, 3-oxo-4-phenylbutyric acid methyl ester
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.3613 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 316.56433 |
Chemical Identifiers
| CAS Number | 37779-49-0 |
|---|---|
| SMILES | COC(=O)CC(=O)CC1=CC=CC=C1 |
Product Overview
Methyl 3-oxo-4-phenylbutanoate (CAS 37779-49-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 3-oxo-4-phenylbutanoate.
Chemical Property Profile of Methyl 3-oxo-4-phenylbutanoate
Property Insights of Methyl 3-oxo-4-phenylbutanoate
The XLogP value of 1.3613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-4-phenylbutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-oxo-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxo-4-phenylbutanoate 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-oxo-4-phenylbutanoate?
The CAS number of Methyl 3-oxo-4-phenylbutanoate is 37779-49-0.
What is the molecular formula of Methyl 3-oxo-4-phenylbutanoate?
The molecular formula of Methyl 3-oxo-4-phenylbutanoate is C11H12O3.
What is the molecular weight of Methyl 3-oxo-4-phenylbutanoate?
The molecular weight of Methyl 3-oxo-4-phenylbutanoate is 192.08 g/mol.
Where can I buy Methyl 3-oxo-4-phenylbutanoate?
You can request a quote for Methyl 3-oxo-4-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-oxo-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.