4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium
TL;DR: 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium (CAS 424789-91-3) is a chemical compound with molecular formula C8H15N4+ and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-prop-1-en-2-yltetrazol-1-ium
Also Known As: 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium, 1-tert-butyl-3-prop-1-en-2-yltetrazol-1-ium, 1-(1,1-Dimethylethyl)-3-(1-methylethenyl)-1H-tetrazolium
| Molecular Formula | C8H15N4+ |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 0.8112 |
| Topological Polar Surface Area | 34.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.12967 |
| Heavy Atoms | 12 |
| Complexity | 292.25165 |
Chemical Identifiers
| CAS Number | 424789-91-3 |
|---|---|
| SMILES | CC(=C)N1N=C[N+](=N1)C(C)(C)C |
Product Overview
4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium (CAS 424789-91-3), with molecular formula C8H15N4+ and molecular weight 167.13 g/mol. IUPAC: 1-tert-butyl-3-prop-1-en-2-yltetrazol-1-ium.
Chemical Property Profile of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium
Property Insights of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium
The XLogP value of 0.8112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium. With a topological polar surface area (TPSA) of 34.59 Ų, 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium has 0 hydrogen bond donor(s) and 2 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 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium?
The CAS number of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium is 424789-91-3.
What is the molecular formula of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium?
The molecular formula of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium is C8H15N4+.
What is the molecular weight of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium?
The molecular weight of 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium is 167.13 g/mol.
Where can I buy 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium?
You can request a quote for 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-2-(prop-1-en-2-yl)-2H-tetrazol-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.