5-(1,3-benzodioxol-5-yl)-1H-tetrazole
TL;DR: 5-(1,3-benzodioxol-5-yl)-1H-tetrazole (CAS 118923-32-3) 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.
5-(1,3-benzodioxol-5-yl)-2H-tetrazole
Also Known As: 5-(1,3-benzodioxol-5-yl)-1H-tetrazole, ChemDiv3_009024, 5-(1,3-benzodioxol-5-yl)-2H-tetrazole, ZERO/005689, 5-Benzo[1,3]dioxol-5-yl-2H-tetrazole
| Molecular Formula | C8H6N4O2 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04907 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 118923-32-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNN=N3 |
| InChIKey | RGZDBHMVHIGDEC-UHFFFAOYSA-N |
Product Overview
5-(1,3-benzodioxol-5-yl)-1H-tetrazole (CAS 118923-32-3), with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2H-tetrazole.
Chemical Property Profile of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole
Property Insights of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzodioxol-5-yl)-1H-tetrazole. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzodioxol-5-yl)-1H-tetrazole. Following Lipinski's Rule of Five, 5-(1,3-benzodioxol-5-yl)-1H-tetrazole 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-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The CAS number of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole is 118923-32-3.
What is the molecular formula of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The molecular formula of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole is C8H6N4O2.
What is the molecular weight of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole?
The molecular weight of 5-(1,3-benzodioxol-5-yl)-1H-tetrazole is 190.05 g/mol.
Where can I buy 5-(1,3-benzodioxol-5-yl)-1H-tetrazole?
You can request a quote for 5-(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 5-(1,3-benzodioxol-5-yl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzodioxol-5-yl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.