C22H15ClFN3OS
TL;DR: C22H15ClFN3OS (CAS 848993-97-5) is a chemical compound with molecular formula C22H15ClFN3OS and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2-((5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[5-(2-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-1-(4-fluorophenyl)etha n-1-one, 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one, 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
| Molecular Formula | C22H15ClFN3OS |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 5.7018 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.06085 |
| Heavy Atoms | 29 |
| Complexity | 1146.4534 |
Chemical Identifiers
| CAS Number | 848993-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4Cl |
Product Overview
C22H15ClFN3OS (CAS 848993-97-5), with molecular formula C22H15ClFN3OS and molecular weight 423.06 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of C22H15ClFN3OS
Property Insights of C22H15ClFN3OS
The XLogP value of 5.7018 indicates that C22H15ClFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, C22H15ClFN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H15ClFN3OS has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H15ClFN3OS?
The CAS number of C22H15ClFN3OS is 848993-97-5.
What is the molecular formula of C22H15ClFN3OS?
The molecular formula of C22H15ClFN3OS is C22H15ClFN3OS.
What is the molecular weight of C22H15ClFN3OS?
The molecular weight of C22H15ClFN3OS is 423.06 g/mol.
Where can I buy C22H15ClFN3OS?
You can request a quote for C22H15ClFN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15ClFN3OS?
Yes, KEHONG BIO provides custom synthesis services for C22H15ClFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.