Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate
TL;DR: Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate (CAS 127999-70-6) is a chemical compound with molecular formula C20H18N2O2 and molecular weight 318.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate
Also Known As: methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate, 8G-020, Methyl 5-cyano-5-(2-cyanophenyl)-5-phenyl-pentanoate, methyl5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate
Technical Specifications
| Molecular Formula | C20H18N2O2 |
| Molecular Weight | 318.13684 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.13684 Da |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
| SMILES | COC(=O)CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2C#N |
| InChIKey | PTJGIZYCSHDGIP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate
Property Insights of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate
The XLogP value of 3.4 indicates that Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate. Following Lipinski's Rule of Five, Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate 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
What is the CAS number of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate?
The CAS number of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate is 127999-70-6.
What is the molecular formula of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate?
The molecular formula of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate is C20H18N2O2.
What is the molecular weight of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate?
The molecular weight of Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate is 318.13684 g/mol.
Where can I buy Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate?
You can request a quote for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-cyano-5-(2-cyanophenyl)-5-phenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.