Diethyleneglycol di-isobutyrate
TL;DR: Diethyleneglycol di-isobutyrate (CAS 76343-97-0) is a chemical compound with molecular formula C12H22O5 and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylpropanoyloxy)ethoxy]ethyl 2-methylpropanoate
Also Known As: Diethyleneglycol di-isobutyrate, DIETHYLENE GLYCOL DIISOBUTANOATE, oxydiethane-2,1-diyl bis(2-methylpropanoate), 2-[2-(2-methylpropanoyloxy)ethoxy]ethyl 2-methylpropanoate
| Molecular Formula | C12H22O5 |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.14673 |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 76343-97-0 |
|---|---|
| SMILES | CC(C)C(=O)OCCOCCOC(=O)C(C)C |
| InChIKey | MNBUMRSEKNGNCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyleneglycol di-isobutyrate (CAS 76343-97-0), with molecular formula C12H22O5 and molecular weight 246.15 g/mol. IUPAC: 2-[2-(2-methylpropanoyloxy)ethoxy]ethyl 2-methylpropanoate.
Chemical Property Profile of Diethyleneglycol di-isobutyrate
Property Insights of Diethyleneglycol di-isobutyrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyleneglycol di-isobutyrate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyleneglycol di-isobutyrate. Following Lipinski's Rule of Five, Diethyleneglycol di-isobutyrate 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 Diethyleneglycol di-isobutyrate?
The CAS number of Diethyleneglycol di-isobutyrate is 76343-97-0.
What is the molecular formula of Diethyleneglycol di-isobutyrate?
The molecular formula of Diethyleneglycol di-isobutyrate is C12H22O5.
What is the molecular weight of Diethyleneglycol di-isobutyrate?
The molecular weight of Diethyleneglycol di-isobutyrate is 246.15 g/mol.
Where can I buy Diethyleneglycol di-isobutyrate?
You can request a quote for Diethyleneglycol di-isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyleneglycol di-isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Diethyleneglycol di-isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.