C22H19N9O2S
TL;DR: C22H19N9O2S (CAS 848994-22-9) is a chemical compound with molecular formula C22H19N9O2S and molecular weight 473.14 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)-1-(4-cyanophenyl)ethylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-cyanophenyl)ethylidene)-5-((p-tolylthio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-cyanophenyl)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H19N9O2S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 2.8589 |
| Topological Polar Surface Area | 160.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.13824 |
| Heavy Atoms | 34 |
| Complexity | 1383.2537 |
Chemical Identifiers
| CAS Number | 848994-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C(\C)/C4=CC=C(C=C4)C#N |
Product Overview
C22H19N9O2S (CAS 848994-22-9), with molecular formula C22H19N9O2S and molecular weight 473.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C22H19N9O2S
Property Insights of C22H19N9O2S
The XLogP value of 2.8589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H19N9O2S. The TPSA of 160.9 Ų indicates high polarity, suggesting C22H19N9O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H19N9O2S has 2 hydrogen bond donor(s) and 10 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 C22H19N9O2S?
The CAS number of C22H19N9O2S is 848994-22-9.
What is the molecular formula of C22H19N9O2S?
The molecular formula of C22H19N9O2S is C22H19N9O2S.
What is the molecular weight of C22H19N9O2S?
The molecular weight of C22H19N9O2S is 473.14 g/mol.
Where can I buy C22H19N9O2S?
You can request a quote for C22H19N9O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H19N9O2S?
Yes, KEHONG BIO provides custom synthesis services for C22H19N9O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.