![1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide structure](/static/products/842/842977-30-4.png)
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide
TL;DR: 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide (CAS 842977-30-4) is a chemical compound with molecular formula C18H15N9O2S and molecular weight 421.11 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-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethylideneamino)triazole-4-carboxamide
Also Known As: 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethylideneamino)triazole-4-carboxamide
| Molecular Formula | C18H15N9O2S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 1.6837 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.10693 |
| Heavy Atoms | 30 |
| Complexity | 1158.8909 |
Chemical Identifiers
| CAS Number | 842977-30-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CN=CC=C4 |
Product Overview
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide (CAS 842977-30-4), with molecular formula C18H15N9O2S and molecular weight 421.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethylideneamino)triazole-4-carboxamide.
Chemical Property Profile of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide
Property Insights of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide
The XLogP value of 1.6837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide. The TPSA of 150.0 Ų indicates high polarity, suggesting 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide 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 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide?
The CAS number of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide is 842977-30-4.
What is the molecular formula of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide?
The molecular formula of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide is C18H15N9O2S.
What is the molecular weight of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide?
The molecular weight of 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide is 421.11 g/mol.
Where can I buy 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide?
You can request a quote for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide 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)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(phenylthio)methyl]-1H-1,2,3-triazole-4-carboxylic acid 2-(3-pyridinylmethylene)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.