![[4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate structure](/static/products/647/647036-41-7.png)
[4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
TL;DR: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate (CAS 647036-41-7) is a chemical compound with molecular formula C26H22N2O3 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
Also Known As: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate|4-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate|4-{2-cyano-2-[(3,4-dimethylphenyl)carbamoyl]eth-1-en-1-yl}phenyl 4-methylbenzoate|EN300-26588906
| Molecular Formula | C26H22N2O3 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 5.37674 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.16306 |
| Heavy Atoms | 31 |
| Complexity | 1184.8169 |
Chemical Identifiers
| CAS Number | 647036-41-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)C)C |
Product Overview
[4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate (CAS 647036-41-7), with molecular formula C26H22N2O3 and molecular weight 410.16 g/mol. IUPAC: [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
Property Insights of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
The XLogP value of 5.37674 indicates that [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate has 1 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 [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The CAS number of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is 647036-41-7.
What is the molecular formula of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The molecular formula of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is C26H22N2O3.
What is the molecular weight of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The molecular weight of [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is 410.16 g/mol.
Where can I buy [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
You can request a quote for [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.