(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate
TL;DR: (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate (CAS 6253-71-0) is a chemical compound with molecular formula C16H10F3N3O3 and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate
Also Known As: 3H-Indole-2-carboxylic acid, 3-oxo-, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate, F0624-0036, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-(trifluoromethyl)benzoate
| Molecular Formula | C16H10F3N3O3 |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 2.6248 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0674 |
| Heavy Atoms | 25 |
| Complexity | 998.8169 |
Chemical Identifiers
| CAS Number | 6253-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
(4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate (CAS 6253-71-0), with molecular formula C16H10F3N3O3 and molecular weight 349.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate
Property Insights of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate
The XLogP value of 2.6248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate 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 (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate?
The CAS number of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate is 6253-71-0.
What is the molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate?
The molecular formula of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate is C16H10F3N3O3.
What is the molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate?
The molecular weight of (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate is 349.07 g/mol.
Where can I buy (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate?
You can request a quote for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.