3-Oxo-4-phenoxy-butyric acid methyl ester
TL;DR: 3-Oxo-4-phenoxy-butyric acid methyl ester (CAS 77869-30-8) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-4-phenoxybutanoate
Also Known As: methyl 3-oxo-4-phenoxybutanoate, methyl phenoxyacetoacetate, 3-Oxo-4-phenoxy-butyric acid methyl ester, UPCMLD00WJAB81, methyl 3-oxo-4-phenoxy-butanoate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.1976 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 331.701 |
Chemical Identifiers
| CAS Number | 77869-30-8 |
|---|---|
| SMILES | COC(=O)CC(=O)COC1=CC=CC=C1 |
Product Overview
3-Oxo-4-phenoxy-butyric acid methyl ester (CAS 77869-30-8), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 3-oxo-4-phenoxybutanoate.
Chemical Property Profile of 3-Oxo-4-phenoxy-butyric acid methyl ester
Property Insights of 3-Oxo-4-phenoxy-butyric acid methyl ester
The XLogP value of 1.1976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-4-phenoxy-butyric acid methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Oxo-4-phenoxy-butyric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-4-phenoxy-butyric acid methyl ester has 0 hydrogen bond donor(s) and 4 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 3-Oxo-4-phenoxy-butyric acid methyl ester?
The CAS number of 3-Oxo-4-phenoxy-butyric acid methyl ester is 77869-30-8.
What is the molecular formula of 3-Oxo-4-phenoxy-butyric acid methyl ester?
The molecular formula of 3-Oxo-4-phenoxy-butyric acid methyl ester is C11H12O4.
What is the molecular weight of 3-Oxo-4-phenoxy-butyric acid methyl ester?
The molecular weight of 3-Oxo-4-phenoxy-butyric acid methyl ester is 208.07 g/mol.
Where can I buy 3-Oxo-4-phenoxy-butyric acid methyl ester?
You can request a quote for 3-Oxo-4-phenoxy-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-4-phenoxy-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-4-phenoxy-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.