Isobutyl pyruvate
TL;DR: Isobutyl pyruvate (CAS 13051-48-4) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-oxopropanoate
Also Known As: Isobutyl pyruvate, 2-methylpropyl 2-oxopropanoate, isobutyl 2-oxopropanoate, iso-butyl pyruvate, pyruvate iso-butyl ester
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 13051-48-4 |
|---|---|
| SMILES | CC(C)COC(=O)C(=O)C |
| InChIKey | WFERWTFFEKELDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl pyruvate (CAS 13051-48-4), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 2-methylpropyl 2-oxopropanoate.
Chemical Property Profile of Isobutyl pyruvate
Property Insights of Isobutyl pyruvate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl pyruvate. With a topological polar surface area (TPSA) of 43.4 Ų, Isobutyl pyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl pyruvate?
The CAS number of Isobutyl pyruvate is 13051-48-4.
What is the molecular formula of Isobutyl pyruvate?
The molecular formula of Isobutyl pyruvate is C7H12O3.
What is the molecular weight of Isobutyl pyruvate?
The molecular weight of Isobutyl pyruvate is 144.08 g/mol.
Where can I buy Isobutyl pyruvate?
You can request a quote for Isobutyl pyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl pyruvate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl pyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.