C22H17ClN6OS
TL;DR: C22H17ClN6OS (CAS 315199-90-7) is a chemical compound with molecular formula C22H17ClN6OS and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-2-ylmethylene)acetohydrazide, 2-{[4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
| Molecular Formula | C22H17ClN6OS |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 4.2251 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.0873 |
| Heavy Atoms | 31 |
| Complexity | 1179.8738 |
Chemical Identifiers
| CAS Number | 315199-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CC=N4 |
Product Overview
C22H17ClN6OS (CAS 315199-90-7), with molecular formula C22H17ClN6OS and molecular weight 448.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
Chemical Property Profile of C22H17ClN6OS
Property Insights of C22H17ClN6OS
The XLogP value of 4.2251 indicates that C22H17ClN6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17ClN6OS. Following Lipinski's Rule of Five, C22H17ClN6OS has 1 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 C22H17ClN6OS?
The CAS number of C22H17ClN6OS is 315199-90-7.
What is the molecular formula of C22H17ClN6OS?
The molecular formula of C22H17ClN6OS is C22H17ClN6OS.
What is the molecular weight of C22H17ClN6OS?
The molecular weight of C22H17ClN6OS is 448.09 g/mol.
Where can I buy C22H17ClN6OS?
You can request a quote for C22H17ClN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17ClN6OS?
Yes, KEHONG BIO provides custom synthesis services for C22H17ClN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.