Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
TL;DR: Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester (CAS 109226-94-0) is a chemical compound with molecular formula C17H15N3O5 and molecular weight 341.10117 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]acetate
Also Known As: Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, Methyl 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, methyl 2-[4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate, Methyl {4-[(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl}acetate, BRN 6002241
Technical Specifications
| Molecular Formula | C17H15N3O5 |
| Molecular Weight | 341.10117 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10117 Da |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
| SMILES | COC(=O)CC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2 |
| InChIKey | LCBNLRYAWBUXCY-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
Property Insights of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester 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 Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 109226-94-0.
What is the molecular formula of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is C17H15N3O5.
What is the molecular weight of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 341.10117 g/mol.
Where can I buy Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 4-((6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.