![4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine structure](/static/products/892/892762-55-9.png)
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine
TL;DR: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine (CAS 892762-55-9) is a chemical compound with molecular formula C19H16N6O3 and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethylphenyl)triazol-4-amine
Also Known As: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine, F1609-0400, 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethylphenyl)triazol-4-amine, 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine
| Molecular Formula | C19H16N6O3 |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 2.91204 |
| Topological Polar Surface Area | 114.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.1284 |
| Heavy Atoms | 28 |
| Complexity | 1196.3547 |
Chemical Identifiers
| CAS Number | 892762-55-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)N)C |
Product Overview
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine (CAS 892762-55-9), with molecular formula C19H16N6O3 and molecular weight 376.13 g/mol. IUPAC: 5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(3,4-dimethylphenyl)triazol-4-amine.
Chemical Property Profile of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine
Property Insights of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine
The XLogP value of 2.91204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine. The TPSA of 114.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine. Following Lipinski's Rule of Five, 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine has 1 hydrogen bond donor(s) and 8 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 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine?
The CAS number of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine is 892762-55-9.
What is the molecular formula of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine?
The molecular formula of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine is C19H16N6O3.
What is the molecular weight of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine?
The molecular weight of 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine is 376.13 g/mol.
Where can I buy 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine?
You can request a quote for 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.