Diethyl (5-methyl-3-oxohexyl)propanedioate
TL;DR: Diethyl (5-methyl-3-oxohexyl)propanedioate (CAS 3400-99-5) 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-(5-methyl-3-oxohexyl)propanedioate
Also Known As: diethyl 2-(5-methyl-3-oxohexyl)malonate, BIM-0019122.P001, diethyl (5-methyl-3-oxohexyl)propanedioate, diethyl 2-(5-methyl-3-oxohexyl)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 | 9 |
| Exact Mass | 272.16238 |
| Heavy Atoms | 19 |
| Complexity | 290.9582 |
Chemical Identifiers
| CAS Number | 3400-99-5 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)CC(C)C)C(=O)OCC |
Product Overview
Diethyl (5-methyl-3-oxohexyl)propanedioate (CAS 3400-99-5), with molecular formula C14H24O5 and molecular weight 272.16 g/mol. IUPAC: diethyl 2-(5-methyl-3-oxohexyl)propanedioate.
Chemical Property Profile of Diethyl (5-methyl-3-oxohexyl)propanedioate
Property Insights of Diethyl (5-methyl-3-oxohexyl)propanedioate
The XLogP value of 2.1242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (5-methyl-3-oxohexyl)propanedioate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (5-methyl-3-oxohexyl)propanedioate. Following Lipinski's Rule of Five, Diethyl (5-methyl-3-oxohexyl)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 (5-methyl-3-oxohexyl)propanedioate?
The CAS number of Diethyl (5-methyl-3-oxohexyl)propanedioate is 3400-99-5.
What is the molecular formula of Diethyl (5-methyl-3-oxohexyl)propanedioate?
The molecular formula of Diethyl (5-methyl-3-oxohexyl)propanedioate is C14H24O5.
What is the molecular weight of Diethyl (5-methyl-3-oxohexyl)propanedioate?
The molecular weight of Diethyl (5-methyl-3-oxohexyl)propanedioate is 272.16 g/mol.
Where can I buy Diethyl (5-methyl-3-oxohexyl)propanedioate?
You can request a quote for Diethyl (5-methyl-3-oxohexyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (5-methyl-3-oxohexyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (5-methyl-3-oxohexyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.