![Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate structure](/static/products/5469/5469-98-7.webp)
Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate
TL;DR: Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate (CAS 5469-98-7) is a chemical compound with molecular formula C26H24N2O2 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-methylphenyl)imino-4,4-diphenylbutanoate
Also Known As: N-(2,2-diphenyl-vinyl)-N-methyl-aniline, ethyl 2-cyano-3-(4-methylphenyl)imino-4,4-diphenylbutanoate, Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate, ETHYL 2-CYANO-3-(4-METHYLPHENYL)IMINO-4,4-DIPHENYL-BUTANOATE
| Molecular Formula | C26H24N2O2 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 62.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.18378 |
| Heavy Atoms | 30 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 5469-98-7 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(=NC1=CC=C(C=C1)C)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IGTCKGFNPVAETE-UHFFFAOYSA-N |
Product Overview
Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate (CAS 5469-98-7), with molecular formula C26H24N2O2 and molecular weight 396.18 g/mol. IUPAC: ethyl 2-cyano-3-(4-methylphenyl)imino-4,4-diphenylbutanoate.
Chemical Property Profile of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate
Property Insights of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate
The XLogP value of 5.8 indicates that Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate. Following Lipinski's Rule of Five, Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate?
The CAS number of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate is 5469-98-7.
What is the molecular formula of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate?
The molecular formula of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate is C26H24N2O2.
What is the molecular weight of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate?
The molecular weight of Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate is 396.18 g/mol.
Where can I buy Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate?
You can request a quote for Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3Z)-2-cyano-3-[(4-methylphenyl)imino]-4,4-diphenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.