Diethyl 2-(acetylamino)-2-allylmalonate
TL;DR: Diethyl 2-(acetylamino)-2-allylmalonate (CAS 14109-62-7) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-acetamido-2-prop-2-enylpropanedioate
Also Known As: diethyl 2-acetamido-2-allylmalonate, Diethyl 2-(acetylamino)-2-allylmalonate, diethyl 2-acetamido-2-prop-2-enylpropanedioate, (Acetylamino)allylmalonic acid diethyl ester, Diethyl 2-(acetylamino)-2-allylmalonate #
Technical Specifications
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.1263 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 257.1263 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| SMILES | CCOC(=O)C(CC=C)(C(=O)OCC)NC(=O)C |
| InChIKey | YDUCTMAJRPJAEB-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-(acetylamino)-2-allylmalonate
Property Insights of Diethyl 2-(acetylamino)-2-allylmalonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(acetylamino)-2-allylmalonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(acetylamino)-2-allylmalonate. Following Lipinski's Rule of Five, Diethyl 2-(acetylamino)-2-allylmalonate 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
What is the CAS number of Diethyl 2-(acetylamino)-2-allylmalonate?
The CAS number of Diethyl 2-(acetylamino)-2-allylmalonate is 14109-62-7.
What is the molecular formula of Diethyl 2-(acetylamino)-2-allylmalonate?
The molecular formula of Diethyl 2-(acetylamino)-2-allylmalonate is C12H19NO5.
What is the molecular weight of Diethyl 2-(acetylamino)-2-allylmalonate?
The molecular weight of Diethyl 2-(acetylamino)-2-allylmalonate is 257.1263 g/mol.
Where can I buy Diethyl 2-(acetylamino)-2-allylmalonate?
You can request a quote for Diethyl 2-(acetylamino)-2-allylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-(acetylamino)-2-allylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-(acetylamino)-2-allylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.