2-Isobutyl-3-ketoglutarate diethyl ester
TL;DR: 2-Isobutyl-3-ketoglutarate diethyl ester (CAS 120699-26-5) is a chemical compound with molecular formula C13H22O5 and molecular weight 258.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methylpropyl)-3-oxopentanedioate
Also Known As: 2-isobutyl-3-ketoglutarate diethyl ester, Diethyl 2-(2-methylpropyl)-3-oxopentanedioate, 2-Isobutyl-3-oxoglutaric acid diethyl ester, J1.999.659J, Diethyl 2-(2-methylpropyl)-3-oxo-pentanedioate
| Molecular Formula | C13H22O5 |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 1.7341 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.14673 |
| Heavy Atoms | 18 |
| Complexity | 295.7567 |
Chemical Identifiers
| CAS Number | 120699-26-5 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC |
Product Overview
2-Isobutyl-3-ketoglutarate diethyl ester (CAS 120699-26-5), with molecular formula C13H22O5 and molecular weight 258.15 g/mol. IUPAC: diethyl 2-(2-methylpropyl)-3-oxopentanedioate.
Chemical Property Profile of 2-Isobutyl-3-ketoglutarate diethyl ester
Property Insights of 2-Isobutyl-3-ketoglutarate diethyl ester
The XLogP value of 1.7341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutyl-3-ketoglutarate diethyl ester. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isobutyl-3-ketoglutarate diethyl ester. Following Lipinski's Rule of Five, 2-Isobutyl-3-ketoglutarate diethyl ester 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 2-Isobutyl-3-ketoglutarate diethyl ester?
The CAS number of 2-Isobutyl-3-ketoglutarate diethyl ester is 120699-26-5.
What is the molecular formula of 2-Isobutyl-3-ketoglutarate diethyl ester?
The molecular formula of 2-Isobutyl-3-ketoglutarate diethyl ester is C13H22O5.
What is the molecular weight of 2-Isobutyl-3-ketoglutarate diethyl ester?
The molecular weight of 2-Isobutyl-3-ketoglutarate diethyl ester is 258.15 g/mol.
Where can I buy 2-Isobutyl-3-ketoglutarate diethyl ester?
You can request a quote for 2-Isobutyl-3-ketoglutarate diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutyl-3-ketoglutarate diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutyl-3-ketoglutarate diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.