Bis(2-methylpropyl) 2,3-dihydroxybutanedioate
TL;DR: Bis(2-methylpropyl) 2,3-dihydroxybutanedioate (CAS 4054-82-4) is a chemical compound with molecular formula C12H22O6 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) 2,3-dihydroxybutanedioate
Also Known As: diisobutyl 2,3-dihydroxysuccinate, diisobutyl tartrate, diisobutyltartrate, Bis(2-methylpropyl) 2,3-dihydroxybutanedioate, Tartaric acid diisobutyl ester
| Molecular Formula | C12H22O6 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 262.14163 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 4054-82-4 |
|---|---|
| SMILES | CC(C)COC(=O)C(C(C(=O)OCC(C)C)O)O |
| InChIKey | ONZOGXRINCURBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-methylpropyl) 2,3-dihydroxybutanedioate (CAS 4054-82-4), with molecular formula C12H22O6 and molecular weight 262.14 g/mol. IUPAC: bis(2-methylpropyl) 2,3-dihydroxybutanedioate.
Chemical Property Profile of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate
Property Insights of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-methylpropyl) 2,3-dihydroxybutanedioate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-methylpropyl) 2,3-dihydroxybutanedioate. Following Lipinski's Rule of Five, Bis(2-methylpropyl) 2,3-dihydroxybutanedioate has 2 hydrogen bond donor(s) and 6 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(2-methylpropyl) 2,3-dihydroxybutanedioate?
The CAS number of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate is 4054-82-4.
What is the molecular formula of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate?
The molecular formula of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate is C12H22O6.
What is the molecular weight of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate?
The molecular weight of Bis(2-methylpropyl) 2,3-dihydroxybutanedioate is 262.14 g/mol.
Where can I buy Bis(2-methylpropyl) 2,3-dihydroxybutanedioate?
You can request a quote for Bis(2-methylpropyl) 2,3-dihydroxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylpropyl) 2,3-dihydroxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylpropyl) 2,3-dihydroxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.