6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one
TL;DR: 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one (CAS 333343-04-7) is a chemical compound with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one
Also Known As: BAS 00762598, 6,7-dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one, 6,7-dimethoxy-2-(2-nitrophenyl)-4H-3,1-benzoxazin-4-one, 6,7-dimethoxy-2-(2-nitrophenyl)benzo[d]1,3-oxazin-4-one, 6,7-Dimethoxy-2-(2-nitro-phenyl)-benzo[d][1,3]oxazin-4-one
| Molecular Formula | C16H12N2O6 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.06955 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 333343-04-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-])OC |
| InChIKey | GWMVOZPZCDEBNK-UHFFFAOYSA-N |
Product Overview
6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one (CAS 333343-04-7), with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol. IUPAC: 6,7-dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one
Property Insights of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 7 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 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one?
The CAS number of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one is 333343-04-7.
What is the molecular formula of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one?
The molecular formula of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one is C16H12N2O6.
What is the molecular weight of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one?
The molecular weight of 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one is 328.07 g/mol.
Where can I buy 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one?
You can request a quote for 6,7-Dimethoxy-2-(2-nitrophenyl)-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 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-2-(2-nitrophenyl)-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.