Bis(1,1-dimethylethyl) 3-oxoglutarate
TL;DR: Bis(1,1-dimethylethyl) 3-oxoglutarate (CAS 28009-80-5) 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.
ditert-butyl 3-oxopentanedioate
Also Known As: di-tert-butyl 3-oxopentanedioate, ditert-butyl 3-oxopentanedioate, di-tert-Butyl 1,3-acetonedicarboxylate, Bis(1,1-dimethylethyl) 3-oxoglutarate, Di-tert-butyl 3-oxoglutarate
| Molecular Formula | C13H22O5 |
|---|---|
| Molecular Weight | 258.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.14673 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 28009-80-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C |
| InChIKey | KREDQIDLGFBDMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(1,1-dimethylethyl) 3-oxoglutarate (CAS 28009-80-5), with molecular formula C13H22O5 and molecular weight 258.15 g/mol. IUPAC: ditert-butyl 3-oxopentanedioate.
Chemical Property Profile of Bis(1,1-dimethylethyl) 3-oxoglutarate
Property Insights of Bis(1,1-dimethylethyl) 3-oxoglutarate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1,1-dimethylethyl) 3-oxoglutarate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1,1-dimethylethyl) 3-oxoglutarate. Following Lipinski's Rule of Five, Bis(1,1-dimethylethyl) 3-oxoglutarate 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 Bis(1,1-dimethylethyl) 3-oxoglutarate?
The CAS number of Bis(1,1-dimethylethyl) 3-oxoglutarate is 28009-80-5.
What is the molecular formula of Bis(1,1-dimethylethyl) 3-oxoglutarate?
The molecular formula of Bis(1,1-dimethylethyl) 3-oxoglutarate is C13H22O5.
What is the molecular weight of Bis(1,1-dimethylethyl) 3-oxoglutarate?
The molecular weight of Bis(1,1-dimethylethyl) 3-oxoglutarate is 258.15 g/mol.
Where can I buy Bis(1,1-dimethylethyl) 3-oxoglutarate?
You can request a quote for Bis(1,1-dimethylethyl) 3-oxoglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1,1-dimethylethyl) 3-oxoglutarate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1,1-dimethylethyl) 3-oxoglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.