2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one
TL;DR: 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one (CAS 98754-80-4) is a chemical compound with molecular formula C12H8N2O6 and molecular weight 276.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(5-nitrofuran-2-yl)-2H-1,3-benzoxazin-4-one
Also Known As: NIOSH/DM3896000, 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one, 3-hydroxy-2-(5-nitrofuran-2-yl)-2H-1,3-benzoxazin-4-one, 2H-1,3-Benzoxazin-4(3H)-one, 3-hydroxy-2-(5-nitro-2-furyl)-, 3-Hydroxy-2-(5-nitro-2-furyl)-2H-1,3-benzoxazin-4(3H)-one
| Molecular Formula | C12H8N2O6 |
|---|---|
| Molecular Weight | 276.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.03824 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 98754-80-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(O2)C3=CC=C(O3)[N+](=O)[O-])O |
| InChIKey | UGGMSFHFMFCUCV-UHFFFAOYSA-N |
Product Overview
2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one (CAS 98754-80-4), with molecular formula C12H8N2O6 and molecular weight 276.04 g/mol. IUPAC: 3-hydroxy-2-(5-nitrofuran-2-yl)-2H-1,3-benzoxazin-4-one.
Chemical Property Profile of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one
Property Insights of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one. Following Lipinski's Rule of Five, 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one has 1 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-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one?
The CAS number of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one is 98754-80-4.
What is the molecular formula of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one?
The molecular formula of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one is C12H8N2O6.
What is the molecular weight of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one?
The molecular weight of 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one is 276.04 g/mol.
Where can I buy 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one?
You can request a quote for 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-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-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-3-hydroxy-2-(5-nitro-2-furanyl)-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.