2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 57463-01-1) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 2-METHYL-6-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE, 2-Methyl-6-nitro-2,4-dihydro-1,4-benzoxazin-3-one, 2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 2-methyl-6-nitro-4H-1,4-benzoxazin-3-one, SALOR-INT L168211-1EA
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.3142 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 443.73853 |
Chemical Identifiers
| CAS Number | 57463-01-1 |
|---|---|
| SMILES | CC1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
Product Overview
2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one (CAS 57463-01-1), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 2-methyl-6-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one. Following Lipinski's Rule of Five, 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one has 1 hydrogen bond donor(s) and 4 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-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one is 57463-01-1.
What is the molecular formula of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one is C9H8N2O4.
What is the molecular weight of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one is 208.05 g/mol.
Where can I buy 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.