5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
TL;DR: 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole (CAS 5873-30-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
Also Known As: 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole, 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.9892 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 553.25073 |
Chemical Identifiers
| CAS Number | 5873-30-3 |
|---|---|
| SMILES | CCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3 |
Product Overview
5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole (CAS 5873-30-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole.
Chemical Property Profile of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
Property Insights of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
The XLogP value of 1.9892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole. The TPSA of 69.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 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-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole?
The CAS number of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole is 5873-30-3.
What is the molecular formula of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole?
The molecular formula of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole is C12H13N3O3.
What is the molecular weight of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole?
The molecular weight of 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole is 247.10 g/mol.
Where can I buy 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole?
You can request a quote for 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2H-1,3-Benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.