![Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate structure](/static/products/1327/13277-53-7.webp)
Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate
TL;DR: Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate (CAS 13277-53-7) is a chemical compound with molecular formula C15H17Cl2NO5 and molecular weight 361.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(N-(2,2-dichloroacetyl)anilino)propanedioate
Also Known As: Diethyl-N-phenyl-dichloracetamid-malonat, diethyl 2-(N-(2,2-dichloroacetyl)anilino)propanedioate, Diethyl [(dichloroacetyl)(phenyl)amino]propanedioate, DIETHYL 2-[(2,2-DICHLOROACETYL)-PHENYL-AMINO]PROPANEDIOATE, Diethyl (2,2-dichloro-N-phenylacetamido)propanedioate
| Molecular Formula | C15H17Cl2NO5 |
|---|---|
| Molecular Weight | 361.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.04837 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 13277-53-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N(C1=CC=CC=C1)C(=O)C(Cl)Cl |
| InChIKey | LIMCZYYAMCUZMD-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate (CAS 13277-53-7), with molecular formula C15H17Cl2NO5 and molecular weight 361.05 g/mol. IUPAC: diethyl 2-(N-(2,2-dichloroacetyl)anilino)propanedioate.
Chemical Property Profile of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate
Property Insights of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate
The XLogP value of 3.4 indicates that Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate has 0 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 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate?
The CAS number of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate is 13277-53-7.
What is the molecular formula of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate?
The molecular formula of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate is C15H17Cl2NO5.
What is the molecular weight of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate?
The molecular weight of Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate is 361.05 g/mol.
Where can I buy Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate?
You can request a quote for Diethyl 2-[(2,2-dichloroacetyl)-phenyl-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 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(2,2-dichloroacetyl)-phenyl-amino]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.