Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
TL;DR: Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate (CAS 109226-99-5) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.11682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate
Also Known As: Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, Benzeneacetic acid, alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate, METHYL 2-{4-[(6-NITRO-2H-1,4-BENZOXAZIN-3-YL)AMINO]PHENYL}PROPANOATE, BRN 6004977
Technical Specifications
| Molecular Formula | C18H17N3O5 |
| Molecular Weight | 355.11682 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.11682 Da |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
| SMILES | CC(C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2)C(=O)OC |
| InChIKey | GXJUUFQOJFFNBL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
Property Insights of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate. Following Lipinski's Rule of Five, Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate 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
What is the CAS number of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The CAS number of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 109226-99-5.
What is the molecular formula of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular formula of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is C18H17N3O5.
What is the molecular weight of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
The molecular weight of Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate is 355.11682 g/mol.
Where can I buy Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
You can request a quote for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate?
Yes, CoreyChem provides custom synthesis services for Methyl alpha-methyl-4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.