1-Isobutyl-5-methyl-1H-tetrazole
TL;DR: 1-Isobutyl-5-methyl-1H-tetrazole (CAS 89534-00-9) is a chemical compound with molecular formula C6H12N4 and molecular weight 140.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(2-methylpropyl)tetrazole
Also Known As: 1-Isobutyl-5-methyl-1H-tetrazole, 1H-Tetrazole, 1-isobutyl-5-methyl-, 1-isobutyl-5-methyl-tetrazol, 5-methyl-1-(2-methylpropyl)tetrazole, 1H-Tetrazole, 5-methyl-1-(2-methylpropyl)-
| Molecular Formula | C6H12N4 |
|---|---|
| Molecular Weight | 140.11 g/mol |
| LogP | 0.63752 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.1062 |
| Heavy Atoms | 10 |
| Complexity | 203.26767 |
Chemical Identifiers
| CAS Number | 89534-00-9 |
|---|---|
| SMILES | CC1=NN=NN1CC(C)C |
Product Overview
1-Isobutyl-5-methyl-1H-tetrazole (CAS 89534-00-9), with molecular formula C6H12N4 and molecular weight 140.11 g/mol. IUPAC: 5-methyl-1-(2-methylpropyl)tetrazole.
Chemical Property Profile of 1-Isobutyl-5-methyl-1H-tetrazole
Property Insights of 1-Isobutyl-5-methyl-1H-tetrazole
The XLogP value of 0.63752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyl-5-methyl-1H-tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 1-Isobutyl-5-methyl-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isobutyl-5-methyl-1H-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 1-Isobutyl-5-methyl-1H-tetrazole?
The CAS number of 1-Isobutyl-5-methyl-1H-tetrazole is 89534-00-9.
What is the molecular formula of 1-Isobutyl-5-methyl-1H-tetrazole?
The molecular formula of 1-Isobutyl-5-methyl-1H-tetrazole is C6H12N4.
What is the molecular weight of 1-Isobutyl-5-methyl-1H-tetrazole?
The molecular weight of 1-Isobutyl-5-methyl-1H-tetrazole is 140.11 g/mol.
Where can I buy 1-Isobutyl-5-methyl-1H-tetrazole?
You can request a quote for 1-Isobutyl-5-methyl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isobutyl-5-methyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyl-5-methyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.