(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-66-3) is a chemical compound with molecular formula C22H19ClN8O2S and molecular weight 494.10 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-chlorophenyl)sulfanylmethyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-N'-[(1E)-3,4-dihydronaphthalen-1(2H)-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H19ClN8O2S |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 3.6486 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.10403 |
| Heavy Atoms | 34 |
| Complexity | 1365.499 |
Chemical Identifiers
| CAS Number | 862104-66-3 |
|---|---|
| SMILES | C1CC2=CC=CC=C2/C(=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)CSC5=CC=C(C=C5)Cl)/C1 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-66-3), with molecular formula C22H19ClN8O2S and molecular weight 494.10 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 3.6486 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 9 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 862104-66-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C22H19ClN8O2S.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 494.10 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-chlorophenyl)thio)methyl)-N'-(3,4-dihydronaphthalen-1(2H)-ylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.