C18H12FN3OS
TL;DR: C18H12FN3OS (CAS 577959-63-8) is a chemical compound with molecular formula C18H12FN3OS and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-(2-fluorobenzylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (Z)-5-(2-fluorobenzylidene)-2-(o-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[(2-fluorophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-[(2-FLUOROPHENYL)METHYLIDENE]-2-(2-METHYLPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE
| Molecular Formula | C18H12FN3OS |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 2.81322 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.0685 |
| Heavy Atoms | 24 |
| Complexity | 1162.6874 |
Chemical Identifiers
| CAS Number | 577959-63-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=N2 |
Product Overview
C18H12FN3OS (CAS 577959-63-8), with molecular formula C18H12FN3OS and molecular weight 337.07 g/mol. IUPAC: (5Z)-5-[(2-fluorophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of C18H12FN3OS
Property Insights of C18H12FN3OS
The XLogP value of 2.81322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H12FN3OS. With a topological polar surface area (TPSA) of 47.26 Ų, C18H12FN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H12FN3OS has 0 hydrogen bond donor(s) and 4 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 C18H12FN3OS?
The CAS number of C18H12FN3OS is 577959-63-8.
What is the molecular formula of C18H12FN3OS?
The molecular formula of C18H12FN3OS is C18H12FN3OS.
What is the molecular weight of C18H12FN3OS?
The molecular weight of C18H12FN3OS is 337.07 g/mol.
Where can I buy C18H12FN3OS?
You can request a quote for C18H12FN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12FN3OS?
Yes, KEHONG BIO provides custom synthesis services for C18H12FN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.