![Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate structure](/static/products/889/889245-07-2.png)
Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate
TL;DR: Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate (CAS 889245-07-2) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(propylcarbamoylamino)benzene-1,3-dicarboxylate
Also Known As: diethyl 5-(3-propylureido)isophthalate, diethyl 5-(propylcarbamoylamino)benzene-1,3-dicarboxylate, diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate, DIETHYL 5-{[(PROPYLAMINO)CARBONYL]AMINO}ISOPHTHALATE, ethyl 3-(ethoxycarbonyl)-5-[(propylamino)carbonylamino]benzoate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 2.5715 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 535.33905 |
Chemical Identifiers
| CAS Number | 889245-07-2 |
|---|---|
| SMILES | CCCNC(=O)NC1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate (CAS 889245-07-2), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: diethyl 5-(propylcarbamoylamino)benzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate
Property Insights of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate
The XLogP value of 2.5715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate has 2 hydrogen bond donor(s) and 5 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-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate?
The CAS number of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate is 889245-07-2.
What is the molecular formula of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate?
The molecular formula of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate is C16H22N2O5.
What is the molecular weight of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate?
The molecular weight of Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate is 322.15 g/mol.
Where can I buy Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate?
You can request a quote for Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-[(propylcarbamoyl)amino]benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.