Ethyl 2-cyano-3,3-diphenylpentanoate
TL;DR: Ethyl 2-cyano-3,3-diphenylpentanoate (CAS 55417-52-2) is a chemical compound with molecular formula C20H21NO2 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3,3-diphenylpentanoate
Also Known As: ethyl 2-cyano-3,3-diphenylpentanoate, NCIOpen2_009119, ETHYL 2-CYANO-3,3-DIPHENYL-PENTANOATE
| Molecular Formula | C20H21NO2 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.15723 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 55417-52-2 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C#N)C(=O)OCC |
| InChIKey | ZSUDSIFYBDBEED-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3,3-diphenylpentanoate (CAS 55417-52-2), with molecular formula C20H21NO2 and molecular weight 307.16 g/mol. IUPAC: ethyl 2-cyano-3,3-diphenylpentanoate.
Chemical Property Profile of Ethyl 2-cyano-3,3-diphenylpentanoate
Property Insights of Ethyl 2-cyano-3,3-diphenylpentanoate
The XLogP value of 4.9 indicates that Ethyl 2-cyano-3,3-diphenylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-3,3-diphenylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3,3-diphenylpentanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-cyano-3,3-diphenylpentanoate?
The CAS number of Ethyl 2-cyano-3,3-diphenylpentanoate is 55417-52-2.
What is the molecular formula of Ethyl 2-cyano-3,3-diphenylpentanoate?
The molecular formula of Ethyl 2-cyano-3,3-diphenylpentanoate is C20H21NO2.
What is the molecular weight of Ethyl 2-cyano-3,3-diphenylpentanoate?
The molecular weight of Ethyl 2-cyano-3,3-diphenylpentanoate is 307.16 g/mol.
Where can I buy Ethyl 2-cyano-3,3-diphenylpentanoate?
You can request a quote for Ethyl 2-cyano-3,3-diphenylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3,3-diphenylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3,3-diphenylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.