(E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate
TL;DR: (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate (CAS 469873-09-4) is a chemical compound with molecular formula C26H17N3O3 and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenyl] benzoate
Also Known As: F0889-0297, (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate, 4-[(1E)-2-CYANO-2-[(QUINOLIN-5-YL)CARBAMOYL]ETH-1-EN-1-YL]PHENYL BENZOATE, 4-[(1E)-2-cyano-2-(N-(5-quinolyl)carbamoyl)vinyl]phenyl benzoate, p-[(E)-2-cyano-2-(N-5-quinolylcarbamoyl)ethenyl]phenyl benzoate
| Molecular Formula | C26H17N3O3 |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.99968 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.12698 |
| Heavy Atoms | 32 |
| Complexity | 1349.4838 |
Chemical Identifiers
| CAS Number | 469873-09-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=C3C=CC=N4 |
Product Overview
(E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate (CAS 469873-09-4), with molecular formula C26H17N3O3 and molecular weight 419.13 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-enyl]phenyl] benzoate.
Chemical Property Profile of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate
Property Insights of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate
The XLogP value of 4.99968 indicates that (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate. Following Lipinski's Rule of Five, (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate has 1 hydrogen bond donor(s) and 5 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 (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate?
The CAS number of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate is 469873-09-4.
What is the molecular formula of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate?
The molecular formula of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate is C26H17N3O3.
What is the molecular weight of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate?
The molecular weight of (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate is 419.13 g/mol.
Where can I buy (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate?
You can request a quote for (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-cyano-3-oxo-3-(quinolin-5-ylamino)prop-1-en-1-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.