![1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide structure](/static/products/5297/5297-29-0.webp)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
TL;DR: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide (CAS 5297-29-0) is a chemical compound with molecular formula C21H25N11O2S and molecular weight 495.19 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-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{1-[4-(2-methylpropyl)phenyl]ethylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H25N11O2S |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 2.0058 |
| Topological Polar Surface Area | 167.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.19135 |
| Heavy Atoms | 35 |
| Complexity | 1337.5046 |
Chemical Identifiers
| CAS Number | 5297-29-0 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NN=CN4C)C |
Product Overview
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide (CAS 5297-29-0), with molecular formula C21H25N11O2S and molecular weight 495.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Property Insights of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
The XLogP value of 2.0058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide. The TPSA of 167.82 Ų indicates high polarity, suggesting 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide?
The CAS number of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide is 5297-29-0.
What is the molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide?
The molecular formula of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide is C21H25N11O2S.
What is the molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide?
The molecular weight of 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide is 495.19 g/mol.
Where can I buy 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide?
You can request a quote for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.