Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate
TL;DR: Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate (CAS 4162-97-4) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-cyano-2,2-diphenylcyclopropane-1-carboxylate
Also Known As: Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate, Ethyl 1-cyano-2,2-diphenyl-cyclopropane-1-carboxylate, ethyl 1-cyano-2,2-diphenylcyclopropane-1-carboxylate, 1-cyano-2,2-diphenyl-cyclopropanecarboxylic acid ethyl ester
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.44948 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 678.60535 |
Chemical Identifiers
| CAS Number | 4162-97-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC1(C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate (CAS 4162-97-4), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: ethyl 1-cyano-2,2-diphenylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate
Property Insights of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate
The XLogP value of 3.44948 indicates that Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate 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 1-cyano-2,2-diphenylcyclopropanecarboxylate?
The CAS number of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate is 4162-97-4.
What is the molecular formula of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate?
The molecular formula of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate is C19H17NO2.
What is the molecular weight of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate?
The molecular weight of Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate is 291.13 g/mol.
Where can I buy Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate?
You can request a quote for Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-cyano-2,2-diphenylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.