Ethyl isopentyl succinate
TL;DR: Ethyl isopentyl succinate (CAS 28024-16-0) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 4-O-(3-methylbutyl) butanedioate
Also Known As: Ethyl isopentyl succinate, ethyl 3-methylbutyl succinate, ethylisopentylsuccinate, ethyl isoamyl succinate, Butanedioic acid, ethyl 3-methylbutyl ester
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 28024-16-0 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)OCCC(C)C |
| InChIKey | GCXHTVAWZRIFAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl isopentyl succinate (CAS 28024-16-0), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 1-O-ethyl 4-O-(3-methylbutyl) butanedioate.
Chemical Property Profile of Ethyl isopentyl succinate
Property Insights of Ethyl isopentyl succinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isopentyl succinate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl isopentyl succinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl isopentyl 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 Ethyl isopentyl succinate?
The CAS number of Ethyl isopentyl succinate is 28024-16-0.
What is the molecular formula of Ethyl isopentyl succinate?
The molecular formula of Ethyl isopentyl succinate is C11H20O4.
What is the molecular weight of Ethyl isopentyl succinate?
The molecular weight of Ethyl isopentyl succinate is 216.14 g/mol.
Where can I buy Ethyl isopentyl succinate?
You can request a quote for Ethyl isopentyl succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl isopentyl succinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl isopentyl succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.