Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
TL;DR: Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester (CAS 109227-04-5) is a chemical compound with molecular formula C24H18ClN3O6 and molecular weight 479.0884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-[(4-chlorobenzoyl)-(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate
Also Known As: Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester, Methyl 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)benzeneacetate, methyl 2-[4-[(4-chlorobenzoyl)-(6-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]acetate, Methyl {4-[4-chloro-N-(6-nitro-2H-1,4-benzoxazin-3-yl)benzamido]phenyl}acetate, BRN 6025344
Technical Specifications
| Molecular Formula | C24H18ClN3O6 |
| Molecular Weight | 479.0884 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.0884 Da |
| Heavy Atoms | 34 |
| Complexity | 786.0 |
| SMILES | COC(=O)CC1=CC=C(C=C1)N(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | VUWDNSJQHCGLOF-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
Property Insights of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester
The XLogP value of 4.4 indicates that Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester 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
What is the CAS number of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The CAS number of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 109227-04-5.
What is the molecular formula of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular formula of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is C24H18ClN3O6.
What is the molecular weight of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
The molecular weight of Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester is 479.0884 g/mol.
Where can I buy Benzeneacetic acid, 4-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
You can request a quote for Benzeneacetic acid, 4-((4-chlorobenzoyl)(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-((4-chlorobenzoyl)(6-nitro-2H-1,4-benzoxazin-3-yl)amino)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 4-((4-chlorobenzoyl)(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.