![2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one structure](/static/products/7900/79006-54-5.webp)
2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one
TL;DR: 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one (CAS 79006-54-5) is a chemical compound with molecular formula C20H12N2O5 and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one
Also Known As: 2-[3-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one, BAS 00332488, 2-[3-(4-nitrophenoxy)phenyl]-4H-3,1-benzoxazin-4-one, 2-(3-{4-nitrophenoxy}phenyl)-4H-3,1-benzoxazin-4-one, 2-[3-(4-nitrophenoxy)phenyl]benzo[d]1,3-oxazin-4-one
| Molecular Formula | C20H12N2O5 |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 4.5555 |
| Topological Polar Surface Area | 95.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.07462 |
| Heavy Atoms | 27 |
| Complexity | 1198.8835 |
Chemical Identifiers
| CAS Number | 79006-54-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one (CAS 79006-54-5), with molecular formula C20H12N2O5 and molecular weight 360.07 g/mol. IUPAC: 2-[3-(4-nitrophenoxy)phenyl]-3,1-benzoxazin-4-one.
Chemical Property Profile of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one
Property Insights of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one
The XLogP value of 4.5555 indicates that 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one has 0 hydrogen bond donor(s) and 6 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-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one?
The CAS number of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one is 79006-54-5.
What is the molecular formula of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one?
The molecular formula of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one is C20H12N2O5.
What is the molecular weight of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one?
The molecular weight of 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one is 360.07 g/mol.
Where can I buy 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one?
You can request a quote for 2-[3-(4-Nitrophenoxy)phenyl]-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 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Nitrophenoxy)phenyl]-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.