![1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole structure](/static/products/6469/646989-38-0.webp)
1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole
TL;DR: 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole (CAS 646989-38-0) is a chemical compound with molecular formula C11H7F6N3 and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazole
Also Known As: 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole, 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazole, 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole, 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,2,3-triazole
| Molecular Formula | C11H7F6N3 |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 3.61332 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0544 |
| Heavy Atoms | 20 |
| Complexity | 593.5692 |
Chemical Identifiers
| CAS Number | 646989-38-0 |
|---|---|
| SMILES | CC1=CN=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole (CAS 646989-38-0), with molecular formula C11H7F6N3 and molecular weight 295.05 g/mol. IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyltriazole.
Chemical Property Profile of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole
Property Insights of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole
The XLogP value of 3.61332 indicates that 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole has 0 hydrogen bond donor(s) and 2 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-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole?
The CAS number of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is 646989-38-0.
What is the molecular formula of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole?
The molecular formula of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is C11H7F6N3.
What is the molecular weight of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole?
The molecular weight of 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole is 295.05 g/mol.
Where can I buy 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole?
You can request a quote for 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-di(trifluoromethyl)phenyl]-5-methyl-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.