4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-
TL;DR: 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- (CAS 68490-45-9) is a chemical compound with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one
Also Known As: 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-, 2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one, 2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one, 2-(3,5-dinitrophenyl)-3,1-benzoxazin-4(4h)-one, 9-(3,5-dinitrophenyl)-8-oxa-10-azabicyclo[4.4.0]deca-1,3,5,9-tetraen-7-one
| Molecular Formula | C14H7N3O6 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 2.6714 |
| Topological Polar Surface Area | 129.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.03348 |
| Heavy Atoms | 23 |
| Complexity | 978.56036 |
Chemical Identifiers
| CAS Number | 68490-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- (CAS 68490-45-9), with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol. IUPAC: 2-(3,5-dinitrophenyl)-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-
Property Insights of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-
The XLogP value of 2.6714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-. The TPSA of 129.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- 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 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- is 68490-45-9.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- is C14H7N3O6.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- is 313.03 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 2-(3,5-dinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.