Isoamyl pyruvate
TL;DR: Isoamyl pyruvate (CAS 78959-46-3) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-oxopropanoate
Also Known As: Isoamyl pyruvate, Isopentyl pyruvate, 3-Methylbutyl 2-oxopropanoate, Pyruvic acid, isopentyl ester, iso-Amyl pyruvate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 78959-46-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(=O)C |
| InChIKey | LBKWGGFVEDOVEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl pyruvate (CAS 78959-46-3), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 3-methylbutyl 2-oxopropanoate.
Chemical Property Profile of Isoamyl pyruvate
Property Insights of Isoamyl pyruvate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl pyruvate. With a topological polar surface area (TPSA) of 43.4 Ų, Isoamyl pyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl pyruvate 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 pyruvate?
The CAS number of Isoamyl pyruvate is 78959-46-3.
What is the molecular formula of Isoamyl pyruvate?
The molecular formula of Isoamyl pyruvate is C8H14O3.
What is the molecular weight of Isoamyl pyruvate?
The molecular weight of Isoamyl pyruvate is 158.09 g/mol.
Where can I buy Isoamyl pyruvate?
You can request a quote for Isoamyl pyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl pyruvate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl pyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.