4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-
TL;DR: 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- (CAS 20973-01-7) is a chemical compound with molecular formula C14H9N3O6 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one
Also Known As: dihydroxy(2-methylphenyl)stibane oxide, 4H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-(p-NITROPHENYL)-, 6-nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one, 2,3-Dihydro-6-nitro-3-(p-nitrophenyl)-4H-1,3-benzoxazin-4-one, 6-Nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4(3H)-one
| Molecular Formula | C14H9N3O6 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.04913 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 20973-01-7 |
|---|---|
| SMILES | C1N(C(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | NMRGMQIPAOLIDS-UHFFFAOYSA-N |
Product Overview
4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- (CAS 20973-01-7), with molecular formula C14H9N3O6 and molecular weight 315.05 g/mol. IUPAC: 6-nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-
Property Insights of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-. Following Lipinski's Rule of Five, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- 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 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-?
The CAS number of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- is 20973-01-7.
What is the molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-?
The molecular formula of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- is C14H9N3O6.
What is the molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-?
The molecular weight of 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- is 315.05 g/mol.
Where can I buy 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-?
You can request a quote for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-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-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.