Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate
TL;DR: Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate (CAS 5190-57-8) is a chemical compound with molecular formula C14H24O5 and molecular weight 272.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-(4-oxopentan-2-yl)propanedioate
Also Known As: diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate, Diethyl 2-ethyl-2-(4-oxopentan-2-yl)propanedioate
| Molecular Formula | C14H24O5 |
|---|---|
| Molecular Weight | 272.16 g/mol |
| LogP | 2.1242 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.16238 |
| Heavy Atoms | 19 |
| Complexity | 316.72803 |
Chemical Identifiers
| CAS Number | 5190-57-8 |
|---|---|
| SMILES | CCC(C(C)CC(=O)C)(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate (CAS 5190-57-8), with molecular formula C14H24O5 and molecular weight 272.16 g/mol. IUPAC: diethyl 2-ethyl-2-(4-oxopentan-2-yl)propanedioate.
Chemical Property Profile of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate
Property Insights of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate
The XLogP value of 2.1242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate has 0 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-ethyl-2-(1-methyl-3-oxobutyl)malonate?
The CAS number of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate is 5190-57-8.
What is the molecular formula of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate?
The molecular formula of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate is C14H24O5.
What is the molecular weight of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate?
The molecular weight of Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate is 272.16 g/mol.
Where can I buy Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate?
You can request a quote for Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)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-ethyl-2-(1-methyl-3-oxobutyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-ethyl-2-(1-methyl-3-oxobutyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.