1-Methyl-5-(trifluoromethyl)tetrazole
TL;DR: 1-Methyl-5-(trifluoromethyl)tetrazole (CAS 70562-63-9) is a chemical compound with molecular formula C3H3F3N4 and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(trifluoromethyl)tetrazole
Also Known As: 1-Methyl-5-(trifluoromethyl)tetrazole, 1-Methyl-5- -1H-tetrazole, 1H-Tetrazole, 1-methyl-5-(trifluoromethyl)-, 1-Methyl-5-(trifluoromethyl)-1H-tetrazole, 1-methyl-5-trifluoromethyltetrazole
| Molecular Formula | C3H3F3N4 |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03098 |
| Heavy Atoms | 10 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 70562-63-9 |
|---|---|
| SMILES | CN1C(=NN=N1)C(F)(F)F |
| InChIKey | UYDABCMRKBCMLZ-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-(trifluoromethyl)tetrazole (CAS 70562-63-9), with molecular formula C3H3F3N4 and molecular weight 152.03 g/mol. IUPAC: 1-methyl-5-(trifluoromethyl)tetrazole.
Chemical Property Profile of 1-Methyl-5-(trifluoromethyl)tetrazole
Property Insights of 1-Methyl-5-(trifluoromethyl)tetrazole
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(trifluoromethyl)tetrazole. With a topological polar surface area (TPSA) of 43.6 Ų, 1-Methyl-5-(trifluoromethyl)tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-(trifluoromethyl)tetrazole has 0 hydrogen bond donor(s) and 6 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-Methyl-5-(trifluoromethyl)tetrazole?
The CAS number of 1-Methyl-5-(trifluoromethyl)tetrazole is 70562-63-9.
What is the molecular formula of 1-Methyl-5-(trifluoromethyl)tetrazole?
The molecular formula of 1-Methyl-5-(trifluoromethyl)tetrazole is C3H3F3N4.
What is the molecular weight of 1-Methyl-5-(trifluoromethyl)tetrazole?
The molecular weight of 1-Methyl-5-(trifluoromethyl)tetrazole is 152.03 g/mol.
Where can I buy 1-Methyl-5-(trifluoromethyl)tetrazole?
You can request a quote for 1-Methyl-5-(trifluoromethyl)tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-(trifluoromethyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(trifluoromethyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.