4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-
TL;DR: 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- (CAS 77580-72-4) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-4H-1,3-oxazin-5-one
Also Known As: 2-(4-Nitrophenyl)-4H-1,3-oxazin-5(6H)-one, 2-(4-nitrophenyl)-4H-1,3-oxazin-5-one, 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-, 2-(4-Nitrophenyl)-4H-1,3-oxazin-5(6H)-one #, 2-(4-nitrophenyl)-5,6-dihydro-4H-1,3-oxazin-5-one
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 77580-72-4 |
|---|---|
| SMILES | C1C(=O)COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ALPSZLRJZRPLGV-UHFFFAOYSA-N |
Product Overview
4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- (CAS 77580-72-4), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: 2-(4-nitrophenyl)-4H-1,3-oxazin-5-one.
Chemical Property Profile of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-
Property Insights of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- 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-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-?
The CAS number of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- is 77580-72-4.
What is the molecular formula of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-?
The molecular formula of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- is C10H8N2O4.
What is the molecular weight of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-?
The molecular weight of 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- is 220.05 g/mol.
Where can I buy 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-?
You can request a quote for 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- 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-Oxazin-5(6H)-one, 2-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Oxazin-5(6H)-one, 2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.