C16H16N12O2S
TL;DR: C16H16N12O2S (CAS 862184-13-2) is a chemical compound with molecular formula C16H16N12O2S and molecular weight 440.12 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)-1-pyridin-3-ylethylideneamino]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'-(1-(pyridin-3-yl)ethylidene)-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'-[(1E)-1-(pyridin-3-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C16H16N12O2S |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 0.2023 |
| Topological Polar Surface Area | 180.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.124 |
| Heavy Atoms | 31 |
| Complexity | 1228.4558 |
Chemical Identifiers
| CAS Number | 862184-13-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)/C4=CN=CC=C4 |
Product Overview
C16H16N12O2S (CAS 862184-13-2), with molecular formula C16H16N12O2S and molecular weight 440.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-[(E)-1-pyridin-3-ylethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C16H16N12O2S
Property Insights of C16H16N12O2S
The XLogP value of 0.2023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H16N12O2S. The TPSA of 180.71 Ų indicates high polarity, suggesting C16H16N12O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H16N12O2S 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 C16H16N12O2S?
The CAS number of C16H16N12O2S is 862184-13-2.
What is the molecular formula of C16H16N12O2S?
The molecular formula of C16H16N12O2S is C16H16N12O2S.
What is the molecular weight of C16H16N12O2S?
The molecular weight of C16H16N12O2S is 440.12 g/mol.
Where can I buy C16H16N12O2S?
You can request a quote for C16H16N12O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H16N12O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H16N12O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.