![6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one structure](/static/products/3306/330635-33-1.webp)
6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
TL;DR: 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one (CAS 330635-33-1) is a chemical compound with molecular formula C22H16N2O7 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one
Also Known As: BAS 00451539, BIM-0020757.P001, 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one, 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one, A1275/0058356
| Molecular Formula | C22H16N2O7 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 4.5727 |
| Topological Polar Surface Area | 113.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09576 |
| Heavy Atoms | 31 |
| Complexity | 1313.0187 |
Chemical Identifiers
| CAS Number | 330635-33-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one (CAS 330635-33-1), with molecular formula C22H16N2O7 and molecular weight 420.10 g/mol. IUPAC: 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
Property Insights of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one
The XLogP value of 4.5727 indicates that 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 8 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-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one?
The CAS number of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one is 330635-33-1.
What is the molecular formula of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular formula of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one is C22H16N2O7.
What is the molecular weight of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one?
The molecular weight of 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one is 420.10 g/mol.
Where can I buy 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one?
You can request a quote for 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-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 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-2-[4-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.