Diisobutyl Succinate
TL;DR: Diisobutyl Succinate (CAS 925-06-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) butanedioate
Also Known As: Diisobutyl succinate, Isobutyl succinate, diisobutylsuccinate, bis(2-methylpropyl) butanedioate, diisobutyl butanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 925-06-4 |
|---|---|
| SMILES | CC(C)COC(=O)CCC(=O)OCC(C)C |
| InChIKey | QCOAPBRVQHMEPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisobutyl Succinate (CAS 925-06-4), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: bis(2-methylpropyl) butanedioate.
Chemical Property Profile of Diisobutyl Succinate
Property Insights of Diisobutyl Succinate
The XLogP value of 3.1 indicates that Diisobutyl Succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diisobutyl Succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl Succinate has 0 hydrogen bond donor(s) and 4 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 Diisobutyl Succinate?
The CAS number of Diisobutyl Succinate is 925-06-4.
What is the molecular formula of Diisobutyl Succinate?
The molecular formula of Diisobutyl Succinate is C12H22O4.
What is the molecular weight of Diisobutyl Succinate?
The molecular weight of Diisobutyl Succinate is 230.15 g/mol.
Where can I buy Diisobutyl Succinate?
You can request a quote for Diisobutyl Succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl Succinate?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl Succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.