5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole
TL;DR: 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole (CAS 369363-79-1) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-2H-triazole
Also Known As: 4-benzo[1,3]dioxol-5-yl-2H-triazole, 5-(1,3-benzodioxol-5-yl)-1h-1,2,3-triazole, 4-(benzo[d][1,3]dioxol-5-yl)-1,2,3-triazolidine
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.2004 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 453.08554 |
Chemical Identifiers
| CAS Number | 369363-79-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNN=C3 |
Product Overview
5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole (CAS 369363-79-1), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-2H-triazole.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole
Property Insights of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole
The XLogP value of 1.2004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole has 1 hydrogen bond donor(s) and 4 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 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole is 369363-79-1.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole is C9H7N3O2.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole is 189.05 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-1h-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.