Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate
TL;DR: Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate (CAS 339115-25-2) is a chemical compound with molecular formula C18H13FN2O2 and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate
Also Known As: Bionet2_000939, methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate, 9K-018, methyl3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate, methyl 3-cyano-3-(2-cyano-3-fluoro-phenyl)-3-phenyl-propanoate
| Molecular Formula | C18H13FN2O2 |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.07016 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0961 |
| Heavy Atoms | 23 |
| Complexity | 806.00665 |
Chemical Identifiers
| CAS Number | 339115-25-2 |
|---|---|
| SMILES | COC(=O)CC(C#N)(C1=CC=CC=C1)C2=C(C(=CC=C2)F)C#N |
Product Overview
Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate (CAS 339115-25-2), with molecular formula C18H13FN2O2 and molecular weight 308.10 g/mol. IUPAC: methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate.
Chemical Property Profile of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate
Property Insights of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate
The XLogP value of 3.07016 indicates that Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate. Following Lipinski's Rule of Five, Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate 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-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate?
The CAS number of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate is 339115-25-2.
What is the molecular formula of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate?
The molecular formula of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate is C18H13FN2O2.
What is the molecular weight of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate?
The molecular weight of Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate is 308.10 g/mol.
Where can I buy Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate?
You can request a quote for Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-cyano-3-(2-cyano-3-fluorophenyl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.