5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole
TL;DR: 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole (CAS 401581-79-1) is a chemical compound with molecular formula C15H11N5O4 and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]tetrazole
Also Known As: 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole, AN-465/13570099, 5-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]tetrazole, 5-{2-[(4-nitrophenyl)methyl]-1,2,3,4-tetraazol-5-yl}-2H-benzo[d]1,3-dioxolene
| Molecular Formula | C15H11N5O4 |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 2.0253 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.08112 |
| Heavy Atoms | 24 |
| Complexity | 906.4828 |
Chemical Identifiers
| CAS Number | 401581-79-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole (CAS 401581-79-1), with molecular formula C15H11N5O4 and molecular weight 325.08 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2-[(4-nitrophenyl)methyl]tetrazole.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole
Property Insights of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole
The XLogP value of 2.0253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole has 0 hydrogen bond donor(s) and 7 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)-2-{4-nitrobenzyl}-2H-tetraazole?
The CAS number of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole is 401581-79-1.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole is C15H11N5O4.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole is 325.08 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole?
You can request a quote for 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole 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)-2-{4-nitrobenzyl}-2H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-2-{4-nitrobenzyl}-2H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.