Ethyl 2-cyano-3,3-diphenylbutanoate
TL;DR: Ethyl 2-cyano-3,3-diphenylbutanoate (CAS 73758-55-1) is a chemical compound with molecular formula C19H19NO2 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3,3-diphenylbutanoate
Also Known As: ethyl 2-cyano-3,3-diphenylbutanoate, 2-Cyano-3,3-diphenylbutyric acid ethyl ester, Butanoic acid,3-diphenyl-, ethyl ester, BUTYRIC ACID, 2-CYANO-3,3-DIPHENYL-, ETHYL ESTER, Benzenepropanoic acid, .alpha.-cyano-.beta.-methyl-.beta.-phenyl-, ethyl ester
| Molecular Formula | C19H19NO2 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.14157 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 73758-55-1 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | JTIFIPAJMMMUCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3,3-diphenylbutanoate (CAS 73758-55-1), with molecular formula C19H19NO2 and molecular weight 293.14 g/mol. IUPAC: ethyl 2-cyano-3,3-diphenylbutanoate.
Chemical Property Profile of Ethyl 2-cyano-3,3-diphenylbutanoate
Property Insights of Ethyl 2-cyano-3,3-diphenylbutanoate
The XLogP value of 4.4 indicates that Ethyl 2-cyano-3,3-diphenylbutanoate 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-diphenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3,3-diphenylbutanoate 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-diphenylbutanoate?
The CAS number of Ethyl 2-cyano-3,3-diphenylbutanoate is 73758-55-1.
What is the molecular formula of Ethyl 2-cyano-3,3-diphenylbutanoate?
The molecular formula of Ethyl 2-cyano-3,3-diphenylbutanoate is C19H19NO2.
What is the molecular weight of Ethyl 2-cyano-3,3-diphenylbutanoate?
The molecular weight of Ethyl 2-cyano-3,3-diphenylbutanoate is 293.14 g/mol.
Where can I buy Ethyl 2-cyano-3,3-diphenylbutanoate?
You can request a quote for Ethyl 2-cyano-3,3-diphenylbutanoate 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-diphenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3,3-diphenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.