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Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate
TL;DR: Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate (CAS 438214-67-6) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(4-propoxybenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: diethyl 5-[(4-propoxybenzoyl)amino]isophthalate, diethyl 5-(4-propoxybenzamido)isophthalate, diethyl 5-[(4-propoxybenzoyl)amino]benzene-1,3-dicarboxylate, ethyl 3-(ethoxycarbonyl)-5-[(4-propoxyphenyl)carbonylamino]benzoate, diethyl 5-{[(4-propoxyphenyl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 4.0811 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 823.85626 |
Chemical Identifiers
| CAS Number | 438214-67-6 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate (CAS 438214-67-6), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: diethyl 5-[(4-propoxybenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate
Property Insights of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate
The XLogP value of 4.0811 indicates that Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate. Following Lipinski's Rule of Five, Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate has 1 hydrogen bond donor(s) and 6 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 Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate?
The CAS number of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate is 438214-67-6.
What is the molecular formula of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate?
The molecular formula of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate is C22H25NO6.
What is the molecular weight of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate?
The molecular weight of Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate is 399.17 g/mol.
Where can I buy Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate?
You can request a quote for Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-[(4-propoxybenzoyl)amino]isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.