Diethyl (2-chloroacetamido)propanedioate
TL;DR: Diethyl (2-chloroacetamido)propanedioate (CAS 53976-14-0) is a chemical compound with molecular formula C9H14ClNO5 and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-chloroacetyl)amino]propanedioate
Also Known As: Diethyl (2-chloroacetamido)propanedioate, Diethyl 2-(2-chloroacetamido)malonate, diethyl[(chloroacetyl)amino]propanedioate, diethyl 2-[(2-chloroacetyl)amino]propanedioate, J1.923.223I
| Molecular Formula | C9H14ClNO5 |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 251.05605 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 53976-14-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)NC(=O)CCl |
| InChIKey | FIRXYFZXNJPHDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-chloroacetamido)propanedioate (CAS 53976-14-0), with molecular formula C9H14ClNO5 and molecular weight 251.06 g/mol. IUPAC: diethyl 2-[(2-chloroacetyl)amino]propanedioate.
Chemical Property Profile of Diethyl (2-chloroacetamido)propanedioate
Property Insights of Diethyl (2-chloroacetamido)propanedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-chloroacetamido)propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (2-chloroacetamido)propanedioate. Following Lipinski's Rule of Five, Diethyl (2-chloroacetamido)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 (2-chloroacetamido)propanedioate?
The CAS number of Diethyl (2-chloroacetamido)propanedioate is 53976-14-0.
What is the molecular formula of Diethyl (2-chloroacetamido)propanedioate?
The molecular formula of Diethyl (2-chloroacetamido)propanedioate is C9H14ClNO5.
What is the molecular weight of Diethyl (2-chloroacetamido)propanedioate?
The molecular weight of Diethyl (2-chloroacetamido)propanedioate is 251.06 g/mol.
Where can I buy Diethyl (2-chloroacetamido)propanedioate?
You can request a quote for Diethyl (2-chloroacetamido)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-chloroacetamido)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-chloroacetamido)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.