Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate
TL;DR: Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate (CAS 5491-06-5) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methyl-3-oxobutyl)propanedioate
Also Known As: diethyl 2-(2-methyl-3-oxo-butyl)propanedioate, diethyl 2-(2-methyl-3-oxobutyl)propanedioate, Diethyl (2-methyl-3-oxobutyl)propanedioate, beta-Methyl-gamma-ketobutyl-malonsaeure-diethylester
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5491-06-5 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)C(=O)C)C(=O)OCC |
| InChIKey | YWGCTCBWPLIPQG-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate (CAS 5491-06-5), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: diethyl 2-(2-methyl-3-oxobutyl)propanedioate.
Chemical Property Profile of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate
Property Insights of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate 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-(2-methyl-3-oxo-butyl)propanedioate?
The CAS number of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate is 5491-06-5.
What is the molecular formula of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate?
The molecular formula of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate is C12H20O5.
What is the molecular weight of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate?
The molecular weight of Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate is 244.13 g/mol.
Where can I buy Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate?
You can request a quote for Diethyl 2-(2-methyl-3-oxo-butyl)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-(2-methyl-3-oxo-butyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-methyl-3-oxo-butyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.