F1589-1579
TL;DR: F1589-1579 (CAS 468768-45-8) is a chemical compound with molecular formula C21H16ClN3O3S and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Also Known As: F1589-1579, (E)-N-(5-(2-chlorobenzyl)thiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylamide, (2E)-N-{5-[(2-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-2-CYANO-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENAMIDE, (2E)-N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide, (2E)-N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}-2-cyano-3-(4-hydroxy-3-m ethoxyphenyl)prop-2-enamide
| Molecular Formula | C21H16ClN3O3S |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 4.64718 |
| Topological Polar Surface Area | 95.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.0601 |
| Heavy Atoms | 29 |
| Complexity | 1118.3542 |
Chemical Identifiers
| CAS Number | 468768-45-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl)O |
Product Overview
F1589-1579 (CAS 468768-45-8), with molecular formula C21H16ClN3O3S and molecular weight 425.06 g/mol. IUPAC: (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of F1589-1579
Property Insights of F1589-1579
The XLogP value of 4.64718 indicates that F1589-1579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.24 Ų falls within the moderate polarity range, balancing permeability and solubility for F1589-1579. Following Lipinski's Rule of Five, F1589-1579 has 2 hydrogen bond donor(s) and 6 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 F1589-1579?
The CAS number of F1589-1579 is 468768-45-8.
What is the molecular formula of F1589-1579?
The molecular formula of F1589-1579 is C21H16ClN3O3S.
What is the molecular weight of F1589-1579?
The molecular weight of F1589-1579 is 425.06 g/mol.
Where can I buy F1589-1579?
You can request a quote for F1589-1579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1589-1579?
Yes, KEHONG BIO provides custom synthesis services for F1589-1579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.