Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate
TL;DR: Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate (CAS 116933-03-0) is a chemical compound with molecular formula C27H22N2O11 and molecular weight 550.1224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 5-[4-methoxycarbonyl-2-[[3-(4-nitrophenyl)-3-oxopropanoyl]amino]phenoxy]benzene-1,3-dicarboxylate
Also Known As: METHYL-3-[2-(4-NITROBENZOYL)ACETAMINO]-4-[3,5-DICARBOXYMETHY, DIMETHYL (METHOXYCARBONYL)-((NITROBENZOYL)-ACETAMIDO-PHENOXY)ISOPHTHALATE, dimethyl 5-[4-methoxycarbonyl-2-[[3-(4-nitrophenyl)-3-oxopropanoyl]amino]phenoxy]benzene-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C27H22N2O11 |
| Molecular Weight | 550.1224 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 550.1224 Da |
| Heavy Atoms | 40 |
| Complexity | 933.0 |
| SMILES | COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)NC(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RZJIAAZRRKQNPF-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate
Property Insights of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate
The XLogP value of 4.1 indicates that Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.0 Ų indicates high polarity, suggesting Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate?
The CAS number of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate is 116933-03-0.
What is the molecular formula of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate?
The molecular formula of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate is C27H22N2O11.
What is the molecular weight of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate?
The molecular weight of Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate is 550.1224 g/mol.
Where can I buy Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate?
You can request a quote for Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate?
Yes, CoreyChem provides custom synthesis services for Dimethyl (methoxycarbonyl)-((nitrobenzoyl)-acetamido-phenoxy)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.