Methyl 3-(4-cyanophenyl)-3-oxopropanoate
TL;DR: Methyl 3-(4-cyanophenyl)-3-oxopropanoate (CAS 101342-38-5) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-cyanophenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-cyanophenyl)-3-oxopropanoate, 3-(4-Cyano-phenyl)-3-oxo-propionic acid methyl ester, Methyl p-Cyanobenzoylacetate, 1,3-Di(p-cyanophenyl)isopropanol, 4-Cyano-b-oxo-benzenepropanoic acid methyl ester
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.30408 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 414.4543 |
Chemical Identifiers
| CAS Number | 101342-38-5 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)C#N |
Product Overview
Methyl 3-(4-cyanophenyl)-3-oxopropanoate (CAS 101342-38-5), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 3-(4-cyanophenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-cyanophenyl)-3-oxopropanoate
Property Insights of Methyl 3-(4-cyanophenyl)-3-oxopropanoate
The XLogP value of 1.30408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-cyanophenyl)-3-oxopropanoate. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-cyanophenyl)-3-oxopropanoate. Following Lipinski's Rule of Five, Methyl 3-(4-cyanophenyl)-3-oxopropanoate 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 Methyl 3-(4-cyanophenyl)-3-oxopropanoate?
The CAS number of Methyl 3-(4-cyanophenyl)-3-oxopropanoate is 101342-38-5.
What is the molecular formula of Methyl 3-(4-cyanophenyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(4-cyanophenyl)-3-oxopropanoate is C11H9NO3.
What is the molecular weight of Methyl 3-(4-cyanophenyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(4-cyanophenyl)-3-oxopropanoate is 203.06 g/mol.
Where can I buy Methyl 3-(4-cyanophenyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(4-cyanophenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-cyanophenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-cyanophenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.