6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one
TL;DR: 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 80306-90-7) is a chemical compound with molecular formula C14H7BrN2O4 and molecular weight 345.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(4-nitrophenyl)-3,1-benzoxazin-4-one
Also Known As: 6-bromo-2-(4-nitrophenyl)-3,1-benzoxazin-4-one, 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one, 6-bromo-2-(4-nitrophenyl)-4H-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C14H7BrN2O4 |
|---|---|
| Molecular Weight | 345.96 g/mol |
| LogP | 3.5257 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.95892 |
| Heavy Atoms | 21 |
| Complexity | 902.9862 |
Chemical Identifiers
| CAS Number | 80306-90-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=O)O2)[N+](=O)[O-] |
Product Overview
6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one (CAS 80306-90-7), with molecular formula C14H7BrN2O4 and molecular weight 345.96 g/mol. IUPAC: 6-bromo-2-(4-nitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one
Property Insights of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one
The XLogP value of 3.5257 indicates that 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one 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 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The CAS number of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one is 80306-90-7.
What is the molecular formula of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one is C14H7BrN2O4.
What is the molecular weight of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one is 345.96 g/mol.
Where can I buy 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-2-(4-nitrophenyl)-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.