C18H11ClFN3OS
TL;DR: C18H11ClFN3OS (CAS 577790-77-3) is a chemical compound with molecular formula C18H11ClFN3OS and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-(2-chloro-6-fluorobenzylidene)-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (Z)-5-(2-chloro-6-fluorobenzylidene)-2-(m-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]-2-(3-METHYLPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE, 5-[(2-chloro-6-fluorophenyl)methylene]-2-(3-methylphenyl)-1,3-thiazolidino[3,2 -d]1,2,4-triazol-6-one
| Molecular Formula | C18H11ClFN3OS |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.46662 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.02954 |
| Heavy Atoms | 25 |
| Complexity | 1194.7576 |
Chemical Identifiers
| CAS Number | 577790-77-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN3C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/SC3=N2 |
Product Overview
C18H11ClFN3OS (CAS 577790-77-3), with molecular formula C18H11ClFN3OS and molecular weight 371.03 g/mol. IUPAC: (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of C18H11ClFN3OS
Property Insights of C18H11ClFN3OS
The XLogP value of 3.46662 indicates that C18H11ClFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, C18H11ClFN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H11ClFN3OS 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 C18H11ClFN3OS?
The CAS number of C18H11ClFN3OS is 577790-77-3.
What is the molecular formula of C18H11ClFN3OS?
The molecular formula of C18H11ClFN3OS is C18H11ClFN3OS.
What is the molecular weight of C18H11ClFN3OS?
The molecular weight of C18H11ClFN3OS is 371.03 g/mol.
Where can I buy C18H11ClFN3OS?
You can request a quote for C18H11ClFN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H11ClFN3OS?
Yes, KEHONG BIO provides custom synthesis services for C18H11ClFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.