4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-
TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- (CAS 114439-77-9) is a chemical compound with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-3-(2-nitrobenzoyl)-2H-1,3-benzoxazin-4-one
Also Known As: 2,3-Dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-4H-1,3-benzoxazin-4-one, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-, 2-(4-methylphenyl)-3-(2-nitrobenzoyl)-2H-1,3-benzoxazin-4-one, 2-(4-Methylphenyl)-3-(2-nitrobenzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one, RefChem:1071783
| Molecular Formula | C22H16N2O5 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.27702 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.10593 |
| Heavy Atoms | 29 |
| Complexity | 1124.0564 |
Chemical Identifiers
| CAS Number | 114439-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- (CAS 114439-77-9), with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol. IUPAC: 2-(4-methylphenyl)-3-(2-nitrobenzoyl)-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-
Property Insights of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-
The XLogP value of 4.27702 indicates that 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- 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 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-?
The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- is 114439-77-9.
What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-?
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- is C22H16N2O5.
What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-?
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- is 388.11 g/mol.
Where can I buy 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-?
You can request a quote for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(2-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.