1-(Trifluoromethanesulfonyl)-1H-benzotriazole
TL;DR: 1-(Trifluoromethanesulfonyl)-1H-benzotriazole (CAS 117632-84-5) is a chemical compound with molecular formula C7H4F3N3O2S and molecular weight 251.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(trifluoromethylsulfonyl)benzotriazole
Also Known As: 1-(Trifluoromethyl)sulphonyl-1H-benzotriazole, 1-(Trifluoromethanesulfonyl)-1H-benzotriazole, 1-(trifluoromethylsulfonyl)benzotriazole, 1-((Trifluoromethyl)sulfonyl)-1H-benzo[d][1,2,3]triazole, 1-[(Trifluoromethyl)sulfonyl]-1H-benzotriazole
| Molecular Formula | C7H4F3N3O2S |
|---|---|
| Molecular Weight | 251.00 g/mol |
| LogP | 1.129 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.99763 |
| Heavy Atoms | 16 |
| Complexity | 631.6096 |
Chemical Identifiers
| CAS Number | 117632-84-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2S(=O)(=O)C(F)(F)F |
Product Overview
1-(Trifluoromethanesulfonyl)-1H-benzotriazole (CAS 117632-84-5), with molecular formula C7H4F3N3O2S and molecular weight 251.00 g/mol. IUPAC: 1-(trifluoromethylsulfonyl)benzotriazole.
Chemical Property Profile of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole
Property Insights of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole
The XLogP value of 1.129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Trifluoromethanesulfonyl)-1H-benzotriazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Trifluoromethanesulfonyl)-1H-benzotriazole. Following Lipinski's Rule of Five, 1-(Trifluoromethanesulfonyl)-1H-benzotriazole has 0 hydrogen bond donor(s) and 4 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-(Trifluoromethanesulfonyl)-1H-benzotriazole?
The CAS number of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole is 117632-84-5.
What is the molecular formula of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole?
The molecular formula of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole is C7H4F3N3O2S.
What is the molecular weight of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole?
The molecular weight of 1-(Trifluoromethanesulfonyl)-1H-benzotriazole is 251.00 g/mol.
Where can I buy 1-(Trifluoromethanesulfonyl)-1H-benzotriazole?
You can request a quote for 1-(Trifluoromethanesulfonyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trifluoromethanesulfonyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trifluoromethanesulfonyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.