2-tert-butyl-5-phenyl-2H-tetrazole
TL;DR: 2-tert-butyl-5-phenyl-2H-tetrazole (CAS 59772-96-2) is a chemical compound with molecular formula C11H14N4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-phenyltetrazole
Also Known As: 2-tert-butyl-5-phenyltetrazole, 2-tert-butyl-5-phenyl-2H-tetrazole, TimTec1_003470, 2-t-butyl-5-phenyltetrazole, 2-(tert-butyl)-5-phenyl-2H-tetrazole
| Molecular Formula | C11H14N4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.12184 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 59772-96-2 |
|---|---|
| SMILES | CC(C)(C)N1N=C(N=N1)C2=CC=CC=C2 |
| InChIKey | BSZQFTLIMOHPIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-butyl-5-phenyl-2H-tetrazole (CAS 59772-96-2), with molecular formula C11H14N4 and molecular weight 202.12 g/mol. IUPAC: 2-tert-butyl-5-phenyltetrazole.
Chemical Property Profile of 2-tert-butyl-5-phenyl-2H-tetrazole
Property Insights of 2-tert-butyl-5-phenyl-2H-tetrazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-5-phenyl-2H-tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 2-tert-butyl-5-phenyl-2H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-5-phenyl-2H-tetrazole has 0 hydrogen bond donor(s) and 3 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 2-tert-butyl-5-phenyl-2H-tetrazole?
The CAS number of 2-tert-butyl-5-phenyl-2H-tetrazole is 59772-96-2.
What is the molecular formula of 2-tert-butyl-5-phenyl-2H-tetrazole?
The molecular formula of 2-tert-butyl-5-phenyl-2H-tetrazole is C11H14N4.
What is the molecular weight of 2-tert-butyl-5-phenyl-2H-tetrazole?
The molecular weight of 2-tert-butyl-5-phenyl-2H-tetrazole is 202.12 g/mol.
Where can I buy 2-tert-butyl-5-phenyl-2H-tetrazole?
You can request a quote for 2-tert-butyl-5-phenyl-2H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5-phenyl-2H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5-phenyl-2H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.