3-Ethyl-5-methoxyphthalic acid dimethylester
TL;DR: 3-Ethyl-5-methoxyphthalic acid dimethylester (CAS 116919-25-6) is a chemical compound with molecular formula C27H24N2O9 and molecular weight 520.1482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 5-[2-[[3-(4-aminophenyl)-3-oxopropanoyl]amino]-4-methoxycarbonylphenoxy]benzene-1,3-dicarboxylate
Also Known As: 3-Ethyl-5-methoxyphthalic acid dimethylester, Dimethyl 5-(2-(3-(4-aminophenyl)-3-oxopropanamido)-4-(methoxycarbonyl)phenoxy)isophthalate, dimethyl 5-[2-[[3-(4-aminophenyl)-3-oxopropanoyl]amino]-4-methoxycarbonylphenoxy]benzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylicacid,5-[2-[[3-(4-aminophenyl)-1,3-dioxopropyl]amino]-4-(methoxycarbonyl)phenoxy]-,1,3-dimethyl ester, 1,3-dimethyl 5-{2-[3-(4-aminophenyl)-3-oxopropanamido]-4-(methoxycarbonyl)phenoxy}benzene-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C27H24N2O9 |
| Molecular Weight | 520.1482 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.1482 Da |
| Heavy Atoms | 38 |
| Complexity | 847.0 |
| 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 |
| InChIKey | HQFQGMKZOWYVJN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-5-methoxyphthalic acid dimethylester
Property Insights of 3-Ethyl-5-methoxyphthalic acid dimethylester
The XLogP value of 3.6 indicates that 3-Ethyl-5-methoxyphthalic acid dimethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.0 Ų indicates high polarity, suggesting 3-Ethyl-5-methoxyphthalic acid dimethylester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Ethyl-5-methoxyphthalic acid dimethylester has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Ethyl-5-methoxyphthalic acid dimethylester?
The CAS number of 3-Ethyl-5-methoxyphthalic acid dimethylester is 116919-25-6.
What is the molecular formula of 3-Ethyl-5-methoxyphthalic acid dimethylester?
The molecular formula of 3-Ethyl-5-methoxyphthalic acid dimethylester is C27H24N2O9.
What is the molecular weight of 3-Ethyl-5-methoxyphthalic acid dimethylester?
The molecular weight of 3-Ethyl-5-methoxyphthalic acid dimethylester is 520.1482 g/mol.
Where can I buy 3-Ethyl-5-methoxyphthalic acid dimethylester?
You can request a quote for 3-Ethyl-5-methoxyphthalic acid dimethylester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-5-methoxyphthalic acid dimethylester?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-5-methoxyphthalic acid dimethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.