Diisopentyl succinate
TL;DR: Diisopentyl succinate (CAS 818-04-2) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylbutyl) butanedioate
Also Known As: Diisopentyl succinate, diisoamyl succinate, bis(3-methylbutyl) butanedioate, diisopentyl butanedioate, Di(2-methylbutyl) succinate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 818-04-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCC(=O)OCCC(C)C |
| InChIKey | VITLQDOBPXWZLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopentyl succinate (CAS 818-04-2), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: bis(3-methylbutyl) butanedioate.
Chemical Property Profile of Diisopentyl succinate
Property Insights of Diisopentyl succinate
The XLogP value of 3.7 indicates that Diisopentyl 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, Diisopentyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopentyl 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 Diisopentyl succinate?
The CAS number of Diisopentyl succinate is 818-04-2.
What is the molecular formula of Diisopentyl succinate?
The molecular formula of Diisopentyl succinate is C14H26O4.
What is the molecular weight of Diisopentyl succinate?
The molecular weight of Diisopentyl succinate is 258.18 g/mol.
Where can I buy Diisopentyl succinate?
You can request a quote for Diisopentyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopentyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Diisopentyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.