Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate
TL;DR: Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate (CAS 109227-07-8) is a chemical compound with molecular formula C25H20ClN3O6 and molecular weight 493.10406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-[(4-chlorobenzoyl)-(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate
Also Known As: Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate, Benzeneacetic acid, 4-((4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino)-alpha-methyl-,methyl ester, methyl 2-[4-[(4-chlorobenzoyl)-(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl]propanoate, Methyl 2-{4-[(4-chlorobenzoyl)(7-nitro-2H-1,4-benzoxazin-3-yl)amino]phenyl}propanoate, Methyl 2-{4-[4-chloro-N-(7-nitro-2H-1,4-benzoxazin-3-yl)benzamido]phenyl}propanoate
Technical Specifications
| Molecular Formula | C25H20ClN3O6 |
| Molecular Weight | 493.10406 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.10406 Da |
| Heavy Atoms | 35 |
| Complexity | 817.0 |
| SMILES | CC(C1=CC=C(C=C1)N(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2)C(=O)C4=CC=C(C=C4)Cl)C(=O)OC |
| InChIKey | ZEKQABGRKFLIEH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate
Property Insights of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate
The XLogP value of 4.9 indicates that Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate 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 Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate. Following Lipinski's Rule of Five, Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate 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 Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
The CAS number of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate is 109227-07-8.
What is the molecular formula of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
The molecular formula of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate is C25H20ClN3O6.
What is the molecular weight of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
The molecular weight of Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate is 493.10406 g/mol.
Where can I buy Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
You can request a quote for Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(7-nitro-2H-1,4-benzoxazin-3-yl)-p-chlorobenzoylamino-alpha-methylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.