![Diethyl[(3,4-dichlorophenyl)amino]propanedioate structure](/static/products/820/82048-76-8.png)
Diethyl[(3,4-dichlorophenyl)amino]propanedioate
TL;DR: Diethyl[(3,4-dichlorophenyl)amino]propanedioate (CAS 82048-76-8) is a chemical compound with molecular formula C13H15Cl2NO4 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,4-dichloroanilino)propanedioate
Also Known As: NCIOpen2_007431, diethyl[(3,4-dichlorophenyl)amino]propanedioate, diethyl 2-(3,4-dichloroanilino)propanedioate, Diethyl (3,4-dichloroanilino)propanedioate, J3.616.878A
| Molecular Formula | C13H15Cl2NO4 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.0378 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 82048-76-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | CJHSQFQFBBRLNQ-UHFFFAOYSA-N |
Product Overview
Diethyl[(3,4-dichlorophenyl)amino]propanedioate (CAS 82048-76-8), with molecular formula C13H15Cl2NO4 and molecular weight 319.04 g/mol. IUPAC: diethyl 2-(3,4-dichloroanilino)propanedioate.
Chemical Property Profile of Diethyl[(3,4-dichlorophenyl)amino]propanedioate
Property Insights of Diethyl[(3,4-dichlorophenyl)amino]propanedioate
The XLogP value of 3.9 indicates that Diethyl[(3,4-dichlorophenyl)amino]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl[(3,4-dichlorophenyl)amino]propanedioate. Following Lipinski's Rule of Five, Diethyl[(3,4-dichlorophenyl)amino]propanedioate has 1 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[(3,4-dichlorophenyl)amino]propanedioate?
The CAS number of Diethyl[(3,4-dichlorophenyl)amino]propanedioate is 82048-76-8.
What is the molecular formula of Diethyl[(3,4-dichlorophenyl)amino]propanedioate?
The molecular formula of Diethyl[(3,4-dichlorophenyl)amino]propanedioate is C13H15Cl2NO4.
What is the molecular weight of Diethyl[(3,4-dichlorophenyl)amino]propanedioate?
The molecular weight of Diethyl[(3,4-dichlorophenyl)amino]propanedioate is 319.04 g/mol.
Where can I buy Diethyl[(3,4-dichlorophenyl)amino]propanedioate?
You can request a quote for Diethyl[(3,4-dichlorophenyl)amino]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl[(3,4-dichlorophenyl)amino]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl[(3,4-dichlorophenyl)amino]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.