(E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate
TL;DR: (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate (CAS 431058-06-9) is a chemical compound with molecular formula C22H16ClNO4 and molecular weight 393.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate
Also Known As: AF-399/40771998, (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate, F0868-0074, [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate, 4-[(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl pyridine-4-carboxylate
| Molecular Formula | C22H16ClNO4 |
|---|---|
| Molecular Weight | 393.08 g/mol |
| LogP | 4.8589 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.07678 |
| Heavy Atoms | 28 |
| Complexity | 1014.46655 |
Chemical Identifiers
| CAS Number | 431058-06-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=NC=C3 |
Product Overview
(E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate (CAS 431058-06-9), with molecular formula C22H16ClNO4 and molecular weight 393.08 g/mol. IUPAC: [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate.
Chemical Property Profile of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate
Property Insights of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate
The XLogP value of 4.8589 indicates that (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate. Following Lipinski's Rule of Five, (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate has 0 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-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate?
The CAS number of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate is 431058-06-9.
What is the molecular formula of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate?
The molecular formula of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate is C22H16ClNO4.
What is the molecular weight of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate?
The molecular weight of (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate is 393.08 g/mol.
Where can I buy (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate?
You can request a quote for (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.