1-Octyl-5-(trifluoromethyl)tetrazole
TL;DR: 1-Octyl-5-(trifluoromethyl)tetrazole (CAS 2264-28-0) is a chemical compound with molecular formula C10H17F3N4 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octyl-5-(trifluoromethyl)tetrazole
Also Known As: 1-octyl-5-(trifluoromethyl)tetrazole, 1-Octyl-5-(trifluoromethyl)-1H-tetrazole
| Molecular Formula | C10H17F3N4 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.14053 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 2264-28-0 |
|---|---|
| SMILES | CCCCCCCCN1C(=NN=N1)C(F)(F)F |
| InChIKey | FGROMQYDOJHCHQ-UHFFFAOYSA-N |
Product Overview
1-Octyl-5-(trifluoromethyl)tetrazole (CAS 2264-28-0), with molecular formula C10H17F3N4 and molecular weight 250.14 g/mol. IUPAC: 1-octyl-5-(trifluoromethyl)tetrazole.
Chemical Property Profile of 1-Octyl-5-(trifluoromethyl)tetrazole
Property Insights of 1-Octyl-5-(trifluoromethyl)tetrazole
The XLogP value of 3.8 indicates that 1-Octyl-5-(trifluoromethyl)tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 1-Octyl-5-(trifluoromethyl)tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyl-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-Octyl-5-(trifluoromethyl)tetrazole?
The CAS number of 1-Octyl-5-(trifluoromethyl)tetrazole is 2264-28-0.
What is the molecular formula of 1-Octyl-5-(trifluoromethyl)tetrazole?
The molecular formula of 1-Octyl-5-(trifluoromethyl)tetrazole is C10H17F3N4.
What is the molecular weight of 1-Octyl-5-(trifluoromethyl)tetrazole?
The molecular weight of 1-Octyl-5-(trifluoromethyl)tetrazole is 250.14 g/mol.
Where can I buy 1-Octyl-5-(trifluoromethyl)tetrazole?
You can request a quote for 1-Octyl-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-Octyl-5-(trifluoromethyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyl-5-(trifluoromethyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.