Isoamyl levulinate
TL;DR: Isoamyl levulinate (CAS 71172-75-3) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 4-oxopentanoate
Also Known As: ISOAMYL LEVULINATE, Isopentyl levulinate, 3-methylbutyl 4-oxopentanoate, Iso-amyllevulinate, iso-Amyl levulinate
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 71172-75-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCC(=O)C |
| InChIKey | NYIALINCMIXBSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl levulinate (CAS 71172-75-3), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 3-methylbutyl 4-oxopentanoate.
Chemical Property Profile of Isoamyl levulinate
Property Insights of Isoamyl levulinate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Isoamyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl levulinate has 0 hydrogen bond donor(s) and 3 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 Isoamyl levulinate?
The CAS number of Isoamyl levulinate is 71172-75-3.
What is the molecular formula of Isoamyl levulinate?
The molecular formula of Isoamyl levulinate is C10H18O3.
What is the molecular weight of Isoamyl levulinate?
The molecular weight of Isoamyl levulinate is 186.13 g/mol.
Where can I buy Isoamyl levulinate?
You can request a quote for Isoamyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.