Diisopentyl thiomalate
TL;DR: Diisopentyl thiomalate (CAS 68084-03-7) is a chemical compound with molecular formula C14H26O4S and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylbutyl) 2-sulfanylbutanedioate
Also Known As: Diisopentyl thiomalate, Diisoamyl thiomalate, DI-ISOAMYLTHIOMALATE, bis(3-methylbutyl) 2-sulfanylbutanedioate, Bis(3-methylbutyl) mercaptosuccinate
| Molecular Formula | C14H26O4S |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 290.15518 |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
| Density | 1.006-1.013 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.453-1.459 |
Chemical Identifiers
| CAS Number | 68084-03-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S |
| InChIKey | HHNLQBYPOOATIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopentyl thiomalate (CAS 68084-03-7), with molecular formula C14H26O4S and molecular weight 290.16 g/mol. IUPAC: bis(3-methylbutyl) 2-sulfanylbutanedioate.
Chemical Property Profile of Diisopentyl thiomalate
Property Insights of Diisopentyl thiomalate
The XLogP value of 3.7 indicates that Diisopentyl thiomalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Diisopentyl thiomalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopentyl thiomalate has 1 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 Diisopentyl thiomalate?
The CAS number of Diisopentyl thiomalate is 68084-03-7.
What is the molecular formula of Diisopentyl thiomalate?
The molecular formula of Diisopentyl thiomalate is C14H26O4S.
What is the molecular weight of Diisopentyl thiomalate?
The molecular weight of Diisopentyl thiomalate is 290.16 g/mol.
Where can I buy Diisopentyl thiomalate?
You can request a quote for Diisopentyl thiomalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopentyl thiomalate?
Yes, KEHONG BIO provides custom synthesis services for Diisopentyl thiomalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.