Α-酮异戊酸
TL;DR: Α-酮异戊酸 (CAS 759-05-7) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-酮异戊酸
3-methyl-2-oxobutanoic acid
Also Known As: 3-Methyl-2-oxobutanoic acid, 3-methyl-2-oxo-butanoic acid, 2-Ketoisovaleric acid, alpha-ketovaline, 2-ketovaline
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| Melting Point | 31.5 |
| Boiling Point | 170.5 |
| Density | 1.115-1.120 |
| Solubility | Soluble in water |
| Refractive Index | 1.436-1.446 |
Chemical Identifiers
| CAS Number | 759-05-7 |
|---|---|
| SMILES | CC(C)C(=O)C(=O)O |
| InChIKey | QHKABHOOEWYVLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-酮异戊酸 (CAS 759-05-7), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: 3-methyl-2-oxobutanoic acid.
Chemical Property Profile of Α-酮异戊酸
Property Insights of Α-酮异戊酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-酮异戊酸. With a topological polar surface area (TPSA) of 54.4 Ų, Α-酮异戊酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-酮异戊酸 has 1 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 Α-酮异戊酸?
The CAS number of Α-酮异戊酸 is 759-05-7.
What is the molecular formula of Α-酮异戊酸?
The molecular formula of Α-酮异戊酸 is C5H8O3.
What is the molecular weight of Α-酮异戊酸?
The molecular weight of Α-酮异戊酸 is 116.05 g/mol.
Where can I buy Α-酮异戊酸?
You can request a quote for Α-酮异戊酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-酮异戊酸?
Yes, KEHONG BIO provides custom synthesis services for Α-酮异戊酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.