Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate
TL;DR: Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate (CAS 349116-75-2) is a chemical compound with molecular formula C20H21NO8 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(3,4,5-trimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(3,4,5-trimethoxybenzamido)isophthalate, DIMETHYL 5-((3,4,5-TRIMETHOXYBENZOYL)AMINO)ISOPHTHALATE, dimethyl 5-[(3,4,5-trimethoxybenzoyl)amino]isophthalate, dimethyl 5-[(3,4,5-trimethoxybenzoyl)amino]benzene-1,3-dicarboxylate, 662-399-3
| Molecular Formula | C20H21NO8 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 2.5379 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1267 |
| Heavy Atoms | 29 |
| Complexity | 878.8187 |
Chemical Identifiers
| CAS Number | 349116-75-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate (CAS 349116-75-2), with molecular formula C20H21NO8 and molecular weight 403.13 g/mol. IUPAC: dimethyl 5-[(3,4,5-trimethoxybenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate
Property Insights of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate
The XLogP value of 2.5379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate?
The CAS number of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate is 349116-75-2.
What is the molecular formula of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate?
The molecular formula of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate is C20H21NO8.
What is the molecular weight of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate?
The molecular weight of Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate is 403.13 g/mol.
Where can I buy Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate?
You can request a quote for Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-((3,4,5-trimethoxybenzoyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.