C22H22N8O2S
TL;DR: C22H22N8O2S (CAS 861122-68-1) is a chemical compound with molecular formula C22H22N8O2S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-ethylbenzylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-ethylphenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H22N8O2S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 3.15952 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.15863 |
| Heavy Atoms | 33 |
| Complexity | 1262.5552 |
Chemical Identifiers
| CAS Number | 861122-68-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=C(C=C4)C |
Product Overview
C22H22N8O2S (CAS 861122-68-1), with molecular formula C22H22N8O2S and molecular weight 462.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-ethylphenyl)methylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C22H22N8O2S
Property Insights of C22H22N8O2S
The XLogP value of 3.15952 indicates that C22H22N8O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H22N8O2S. Following Lipinski's Rule of Five, C22H22N8O2S has 2 hydrogen bond donor(s) and 9 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 C22H22N8O2S?
The CAS number of C22H22N8O2S is 861122-68-1.
What is the molecular formula of C22H22N8O2S?
The molecular formula of C22H22N8O2S is C22H22N8O2S.
What is the molecular weight of C22H22N8O2S?
The molecular weight of C22H22N8O2S is 462.16 g/mol.
Where can I buy C22H22N8O2S?
You can request a quote for C22H22N8O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22N8O2S?
Yes, KEHONG BIO provides custom synthesis services for C22H22N8O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.