F1059-0021
TL;DR: F1059-0021 (CAS 452089-50-8) is a chemical compound with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-[(2-methylsulfanyl-5-phenyl-1,3-thiazol-4-yl)iminomethyl]-1H-quinolin-2-one
Also Known As: F1059-0021, 6-methyl-3-[(E)-[2-(methylthio)-5-phenyl-1,3-thiazol-4-ylimino]methyl]-2(1H)-quinolinone, 6-methyl-3-[(1E)-{[2-(methylsulfanyl)-5-phenyl-1,3-thiazol-4-yl]imino}methyl]-1,2-dihydroquinolin-2-one
| Molecular Formula | C21H17N3OS2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 5.43252 |
| Topological Polar Surface Area | 58.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0813 |
| Heavy Atoms | 27 |
| Complexity | 1193.254 |
Chemical Identifiers
| CAS Number | 452089-50-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C(=C2)C=NC3=C(SC(=N3)SC)C4=CC=CC=C4 |
Product Overview
F1059-0021 (CAS 452089-50-8), with molecular formula C21H17N3OS2 and molecular weight 391.08 g/mol. IUPAC: 6-methyl-3-[(2-methylsulfanyl-5-phenyl-1,3-thiazol-4-yl)iminomethyl]-1H-quinolin-2-one.
Chemical Property Profile of F1059-0021
Property Insights of F1059-0021
The XLogP value of 5.43252 indicates that F1059-0021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.11 Ų, F1059-0021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1059-0021 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1059-0021?
The CAS number of F1059-0021 is 452089-50-8.
What is the molecular formula of F1059-0021?
The molecular formula of F1059-0021 is C21H17N3OS2.
What is the molecular weight of F1059-0021?
The molecular weight of F1059-0021 is 391.08 g/mol.
Where can I buy F1059-0021?
You can request a quote for F1059-0021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1059-0021?
Yes, KEHONG BIO provides custom synthesis services for F1059-0021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.