(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate (CAS 851863-00-8) is a chemical compound with molecular formula C17H9F6N3O3 and molecular weight 417.05 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 3,5-bis(trifluoromethyl)benzoate
Also Known As: F0624-0111, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-bis(trifluoromethyl)benzoate
| Molecular Formula | C17H9F6N3O3 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 3.6436 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.0548 |
| Heavy Atoms | 29 |
| Complexity | 1105.4371 |
Chemical Identifiers
| CAS Number | 851863-00-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate (CAS 851863-00-8), with molecular formula C17H9F6N3O3 and molecular weight 417.05 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate
The XLogP value of 3.6436 indicates that (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate 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 (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(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-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate is 851863-00-8.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate is C17H9F6N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate is 417.05 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(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-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-bis(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.