2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
TL;DR: 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 312534-06-8) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methyl-4-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: BAS 00762775, BIM-0029639.P001, 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate, A2031/0085306, [2-(3-methyl-4-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 312534-06-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2)[N+](=O)[O-] |
| InChIKey | QFRGPFBWNWFFMP-UHFFFAOYSA-N |
Product Overview
2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate (CAS 312534-06-8), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: [2-(3-methyl-4-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Property Insights of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate. Following Lipinski's Rule of Five, 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate 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 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The CAS number of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 312534-06-8.
What is the molecular formula of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular formula of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is C17H12N2O6.
What is the molecular weight of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
The molecular weight of 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate is 340.07 g/mol.
Where can I buy 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
You can request a quote for 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-4-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.