Isopropyl 2-methylbutyrate
TL;DR: Isopropyl 2-methylbutyrate (CAS 26124-32-3) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-methylbutanoate
Also Known As: Isopropyl 2-methylbutyrate, Isopropyl 2-methylbutanoate, propan-2-yl 2-methylbutanoate, Isopropyl 2-methyIbutyrate, 2-Propyl 2-methylbutanoate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 26124-32-3 |
|---|---|
| SMILES | CCC(C)C(=O)OC(C)C |
| InChIKey | DIRDKDDFAMNBNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 2-methylbutyrate (CAS 26124-32-3), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propan-2-yl 2-methylbutanoate.
Chemical Property Profile of Isopropyl 2-methylbutyrate
Property Insights of Isopropyl 2-methylbutyrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-methylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-methylbutyrate has 0 hydrogen bond donor(s) and 2 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 Isopropyl 2-methylbutyrate?
The CAS number of Isopropyl 2-methylbutyrate is 26124-32-3.
What is the molecular formula of Isopropyl 2-methylbutyrate?
The molecular formula of Isopropyl 2-methylbutyrate is C8H16O2.
What is the molecular weight of Isopropyl 2-methylbutyrate?
The molecular weight of Isopropyl 2-methylbutyrate is 144.12 g/mol.
Where can I buy Isopropyl 2-methylbutyrate?
You can request a quote for Isopropyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.