2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
TL;DR: 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one (CAS 106240-07-7) is a chemical compound with molecular formula C9H5F3N2O5 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Also Known As: 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one, A3265/0138852, 2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one, 2-HYDROXY-6-NITRO-2-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
| Molecular Formula | C9H5F3N2O5 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 1.1766 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.01505 |
| Heavy Atoms | 19 |
| Complexity | 573.46375 |
Chemical Identifiers
| CAS Number | 106240-07-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(O2)(C(F)(F)F)O |
Product Overview
2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one (CAS 106240-07-7), with molecular formula C9H5F3N2O5 and molecular weight 278.02 g/mol. IUPAC: 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Property Insights of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
The XLogP value of 1.1766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one has 2 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 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The CAS number of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one is 106240-07-7.
What is the molecular formula of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The molecular formula of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one is C9H5F3N2O5.
What is the molecular weight of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
The molecular weight of 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one is 278.02 g/mol.
Where can I buy 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
You can request a quote for 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-6-nitro-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.