1-(1,3-benzodioxol-5-yl)-1H-tetrazole
TL;DR: 1-(1,3-benzodioxol-5-yl)-1H-tetrazole (CAS 326874-59-3) is a chemical compound with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)tetrazole
Also Known As: 1-(1,3-benzodioxol-5-yl)-1H-tetrazole, 1-(1,3-benzodioxol-5-yl)tetrazole, 1H-tetrazole, 1-(1,3-benzodioxol-5-yl)-, 1-(Benzo[d][1,3]dioxol-5-yl)-1H-tetrazole, 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3,4-tetrazole
| Molecular Formula | C8H6N4O2 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 0.391 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04907 |
| Heavy Atoms | 14 |
| Complexity | 454.36978 |
Chemical Identifiers
| CAS Number | 326874-59-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C=NN=N3 |
Product Overview
1-(1,3-benzodioxol-5-yl)-1H-tetrazole (CAS 326874-59-3), with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)tetrazole.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole
Property Insights of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole
The XLogP value of 0.391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-1H-tetrazole has 0 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 1-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The CAS number of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole is 326874-59-3.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole is C8H6N4O2.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-1H-tetrazole is 190.05 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-1H-tetrazole?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.