![[1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate structure](/static/products/3147/314765-33-8.webp)
[1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate
TL;DR: [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate (CAS 314765-33-8) is a chemical compound with molecular formula C14H16F3N3O3S and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(benzotriazol-1-yl)-4,4-dimethylpent-1-en-2-yl] trifluoromethanesulfonate
Also Known As: 1-[4,4-dimethyl-2-(trifluoromethylsulfonyloxy)pent-1-enyl]benzotriazole, [1-(benzotriazol-1-yl)-4,4-dimethylpent-1-en-2-yl] trifluoromethanesulfonate, [1-(benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate
| Molecular Formula | C14H16F3N3O3S |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | 3.5321 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.08646 |
| Heavy Atoms | 24 |
| Complexity | 864.4975 |
Chemical Identifiers
| CAS Number | 314765-33-8 |
|---|---|
| SMILES | CC(C)(C)CC(=CN1C2=CC=CC=C2N=N1)OS(=O)(=O)C(F)(F)F |
Product Overview
[1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate (CAS 314765-33-8), with molecular formula C14H16F3N3O3S and molecular weight 363.09 g/mol. IUPAC: [1-(benzotriazol-1-yl)-4,4-dimethylpent-1-en-2-yl] trifluoromethanesulfonate.
Chemical Property Profile of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate
Property Insights of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate
The XLogP value of 3.5321 indicates that [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate. Following Lipinski's Rule of Five, [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 5 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-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate?
The CAS number of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate is 314765-33-8.
What is the molecular formula of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate?
The molecular formula of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate is C14H16F3N3O3S.
What is the molecular weight of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate?
The molecular weight of [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate is 363.09 g/mol.
Where can I buy [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate?
You can request a quote for [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [1-(Benzotriazol-1-ylmethylene)-3,3-dimethyl-butyl] trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.