Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate
TL;DR: Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate (CAS 339029-83-3) is a chemical compound with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate
Also Known As: methyl 5-cyano-5-(2-cyanophenyl)-5-phenyl-2-pentenoate, methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate, Methyl 5-cyano-5-(2-cyanophenyl)-5-phenyl-pent-2-enoate
| Molecular Formula | C20H16N2O2 |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.48726 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.1212 |
| Heavy Atoms | 24 |
| Complexity | 828.70764 |
Chemical Identifiers
| CAS Number | 339029-83-3 |
|---|---|
| SMILES | COC(=O)C=CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2C#N |
Product Overview
Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate (CAS 339029-83-3), with molecular formula C20H16N2O2 and molecular weight 316.12 g/mol. IUPAC: methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate.
Chemical Property Profile of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate
Property Insights of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate
The XLogP value of 3.48726 indicates that Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate 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 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate. Following Lipinski's Rule of Five, Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate 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 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate?
The CAS number of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate is 339029-83-3.
What is the molecular formula of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate?
The molecular formula of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate is C20H16N2O2.
What is the molecular weight of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate?
The molecular weight of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate is 316.12 g/mol.
Where can I buy Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate?
You can request a quote for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.