3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether
TL;DR: 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether (CAS 866151-22-6) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-tert-butylphenoxy)-2H-tetrazole
Also Known As: 5-(3-tert-butylphenoxy)-2H-tetrazole, 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether, 5-(3-tert-butylphenoxy)-1H-1,2,3,4-tetrazole, 5-(3-tert-butylphenoxy)-2H-1,2,3,4-tetrazole
| Molecular Formula | C11H14N4O |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 2.2895 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.11676 |
| Heavy Atoms | 16 |
| Complexity | 459.08685 |
Chemical Identifiers
| CAS Number | 866151-22-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)OC2=NNN=N2 |
Product Overview
3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether (CAS 866151-22-6), with molecular formula C11H14N4O and molecular weight 218.12 g/mol. IUPAC: 5-(3-tert-butylphenoxy)-2H-tetrazole.
Chemical Property Profile of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether
Property Insights of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether
The XLogP value of 2.2895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether. Following Lipinski's Rule of Five, 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether has 1 hydrogen bond donor(s) and 4 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 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether?
The CAS number of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether is 866151-22-6.
What is the molecular formula of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether?
The molecular formula of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether is C11H14N4O.
What is the molecular weight of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether?
The molecular weight of 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether is 218.12 g/mol.
Where can I buy 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether?
You can request a quote for 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-butyl)phenyl 1H-1,2,3,4-tetraazol-5-yl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.