Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate
TL;DR: Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate (CAS 114872-55-8) is a chemical compound with molecular formula C16H19Cl2NO5 and molecular weight 375.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(3,4-dichlorophenyl)methyl]propanedioate
Also Known As: diethyl(acetylamino)(3,4-dichlorobenzyl)propanedioate, acetylamino-(3,4-dichloro-benzyl)-malonic acid diethyl ester, diethyl 2-acetamido-2-[(3,4-dichlorophenyl)methyl]propanedioate, Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate
| Molecular Formula | C16H19Cl2NO5 |
|---|---|
| Molecular Weight | 375.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.06403 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 114872-55-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)(C(=O)OCC)NC(=O)C |
| InChIKey | PVAUVBQOBQVDSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate (CAS 114872-55-8), with molecular formula C16H19Cl2NO5 and molecular weight 375.06 g/mol. IUPAC: diethyl 2-acetamido-2-[(3,4-dichlorophenyl)methyl]propanedioate.
Chemical Property Profile of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate
Property Insights of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate
The XLogP value of 3.4 indicates that Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate. Following Lipinski's Rule of Five, Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate 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 Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate?
The CAS number of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate is 114872-55-8.
What is the molecular formula of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate?
The molecular formula of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate is C16H19Cl2NO5.
What is the molecular weight of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate?
The molecular weight of Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate is 375.06 g/mol.
Where can I buy Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate?
You can request a quote for Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-2-acetamido-2-carbethoxy-3-(3,4-dichlorophenyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.