Diethyl 2-methyl-3-oxohexanedioate
TL;DR: Diethyl 2-methyl-3-oxohexanedioate (CAS 759-68-2) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-3-oxohexanedioate
Also Known As: diethyl 2-methyl-3-oxohexanedioate, diethyl 2-methyl-3-oxoadipate, Diethyl 2-methyl-3-oxo-hexanedioate, 2-methyl-3-oxo-adipic acid diethyl ester, 2-methyl-3-oxo-hexanedioic acid diethyl ester
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.098 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 259.10052 |
Chemical Identifiers
| CAS Number | 759-68-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C(C)C(=O)OCC |
Product Overview
Diethyl 2-methyl-3-oxohexanedioate (CAS 759-68-2), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: diethyl 2-methyl-3-oxohexanedioate.
Chemical Property Profile of Diethyl 2-methyl-3-oxohexanedioate
Property Insights of Diethyl 2-methyl-3-oxohexanedioate
The XLogP value of 1.098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-methyl-3-oxohexanedioate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-methyl-3-oxohexanedioate. Following Lipinski's Rule of Five, Diethyl 2-methyl-3-oxohexanedioate 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-methyl-3-oxohexanedioate?
The CAS number of Diethyl 2-methyl-3-oxohexanedioate is 759-68-2.
What is the molecular formula of Diethyl 2-methyl-3-oxohexanedioate?
The molecular formula of Diethyl 2-methyl-3-oxohexanedioate is C11H18O5.
What is the molecular weight of Diethyl 2-methyl-3-oxohexanedioate?
The molecular weight of Diethyl 2-methyl-3-oxohexanedioate is 230.12 g/mol.
Where can I buy Diethyl 2-methyl-3-oxohexanedioate?
You can request a quote for Diethyl 2-methyl-3-oxohexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methyl-3-oxohexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methyl-3-oxohexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.