C15H14N12O2S
TL;DR: C15H14N12O2S (CAS 861147-50-4) is a chemical compound with molecular formula C15H14N12O2S and molecular weight 426.11 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)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-N'-(pyridin-3-ylmethylene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(E)-pyridin-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C15H14N12O2S |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | -0.1878 |
| Topological Polar Surface Area | 180.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.10834 |
| Heavy Atoms | 30 |
| Complexity | 1181.4385 |
Chemical Identifiers
| CAS Number | 861147-50-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CN=CC=C4 |
Product Overview
C15H14N12O2S (CAS 861147-50-4), with molecular formula C15H14N12O2S and molecular weight 426.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-pyridin-3-ylmethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C15H14N12O2S
Property Insights of C15H14N12O2S
The XLogP value of -0.1878 indicates that C15H14N12O2S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.71 Ų indicates high polarity, suggesting C15H14N12O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C15H14N12O2S has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C15H14N12O2S?
The CAS number of C15H14N12O2S is 861147-50-4.
What is the molecular formula of C15H14N12O2S?
The molecular formula of C15H14N12O2S is C15H14N12O2S.
What is the molecular weight of C15H14N12O2S?
The molecular weight of C15H14N12O2S is 426.11 g/mol.
Where can I buy C15H14N12O2S?
You can request a quote for C15H14N12O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H14N12O2S?
Yes, KEHONG BIO provides custom synthesis services for C15H14N12O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.