Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate
TL;DR: Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate (CAS 101086-83-3) is a chemical compound with molecular formula C15H25NO7 and molecular weight 331.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1-acetamido-2-methylpropane-1,1,3-tricarboxylate
Also Known As: triethyl 1-acetamido-2-methylpropane-1,1,3-tricarboxylate, DIETHYL 2-ACETAMIDO-2-(2-(ETHOXYCARBONYL)-1-METHYLETHYL)MALONATE, 1,1,3-triethyl 1-acetamido-2-methyl-propane-1,1,3-tricarboxylate
| Molecular Formula | C15H25NO7 |
|---|---|
| Molecular Weight | 331.16 g/mol |
| LogP | 0.5768 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.16312 |
| Heavy Atoms | 23 |
| Complexity | 429.10635 |
Chemical Identifiers
| CAS Number | 101086-83-3 |
|---|---|
| SMILES | CCOC(=O)CC(C)C(C(=O)OCC)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate (CAS 101086-83-3), with molecular formula C15H25NO7 and molecular weight 331.16 g/mol. IUPAC: triethyl 1-acetamido-2-methylpropane-1,1,3-tricarboxylate.
Chemical Property Profile of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate
Property Insights of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate
The XLogP value of 0.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate has 1 hydrogen bond donor(s) and 7 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-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate?
The CAS number of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate is 101086-83-3.
What is the molecular formula of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate?
The molecular formula of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate is C15H25NO7.
What is the molecular weight of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate?
The molecular weight of Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate is 331.16 g/mol.
Where can I buy Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate?
You can request a quote for Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)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-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-(2-(ethoxycarbonyl)-1-methylethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.