Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate
TL;DR: Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate (CAS 123761-87-5) is a chemical compound with molecular formula C11H16Cl3NO5 and molecular weight 347.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1-acetamido-2,2,2-trichloroethyl)propanedioate
Also Known As: Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate, diethyl 2-[1-(acetylamino)-2,2,2-trichloroethyl]malonate, AB01334947-02, diethyl 2-(1-acetamido-2,2,2-trichloroethyl)propanedioate, 1,3-diethyl 2-(2,2,2-trichloro-1-acetamidoethyl)propanedioate
| Molecular Formula | C11H16Cl3NO5 |
|---|---|
| Molecular Weight | 347.01 g/mol |
| LogP | 1.6037 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.0094 |
| Heavy Atoms | 20 |
| Complexity | 351.56033 |
Chemical Identifiers
| CAS Number | 123761-87-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C(Cl)(Cl)Cl)NC(=O)C)C(=O)OCC |
Product Overview
Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate (CAS 123761-87-5), with molecular formula C11H16Cl3NO5 and molecular weight 347.01 g/mol. IUPAC: diethyl 2-(1-acetamido-2,2,2-trichloroethyl)propanedioate.
Chemical Property Profile of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate
Property Insights of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate
The XLogP value of 1.6037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate 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-(1-acetamido-2,2,2-trichloroethyl)malonate?
The CAS number of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate is 123761-87-5.
What is the molecular formula of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate?
The molecular formula of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate is C11H16Cl3NO5.
What is the molecular weight of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate?
The molecular weight of Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate is 347.01 g/mol.
Where can I buy Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate?
You can request a quote for Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1-acetamido-2,2,2-trichloroethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.