C17H19N11O2S2
TL;DR: C17H19N11O2S2 (CAS 861645-60-5) is a chemical compound with molecular formula C17H19N11O2S2 and molecular weight 473.12 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)-N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(2,5-dimethylthiophen-3-yl)ethylidene)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,5-dimethylthiophen-3-yl)ethylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C17H19N11O2S2 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 1.48564 |
| Topological Polar Surface Area | 167.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.11646 |
| Heavy Atoms | 32 |
| Complexity | 1299.565 |
Chemical Identifiers
| CAS Number | 861645-60-5 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)/C(=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NN=CN4C)/C |
Product Overview
C17H19N11O2S2 (CAS 861645-60-5), with molecular formula C17H19N11O2S2 and molecular weight 473.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C17H19N11O2S2
Property Insights of C17H19N11O2S2
The XLogP value of 1.48564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H19N11O2S2. The TPSA of 167.82 Ų indicates high polarity, suggesting C17H19N11O2S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H19N11O2S2 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 C17H19N11O2S2?
The CAS number of C17H19N11O2S2 is 861645-60-5.
What is the molecular formula of C17H19N11O2S2?
The molecular formula of C17H19N11O2S2 is C17H19N11O2S2.
What is the molecular weight of C17H19N11O2S2?
The molecular weight of C17H19N11O2S2 is 473.12 g/mol.
Where can I buy C17H19N11O2S2?
You can request a quote for C17H19N11O2S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H19N11O2S2?
Yes, KEHONG BIO provides custom synthesis services for C17H19N11O2S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.