Α-酮异己酸
TL;DR: Α-酮异己酸 (CAS 816-66-0) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-酮异己酸
4-methyl-2-oxopentanoic acid
Also Known As: 4-methyl-2-oxopentanoic acid, 4-Methyl-2-oxovaleric acid, Ketoleucine, alpha-Ketoisocaproic acid, 2-Oxoisocaproate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| Melting Point | 8 - 10 °C |
| Density | 1.053-1.058 |
| Solubility | 32 mg/mL |
| Refractive Index | 1.432-1.442 |
Chemical Identifiers
| CAS Number | 816-66-0 |
|---|---|
| SMILES | CC(C)CC(=O)C(=O)O |
| InChIKey | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-酮异己酸 (CAS 816-66-0), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 4-methyl-2-oxopentanoic acid.
Chemical Property Profile of Α-酮异己酸
Property Insights of Α-酮异己酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-酮异己酸. With a topological polar surface area (TPSA) of 54.4 Ų, Α-酮异己酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-酮异己酸 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-酮异己酸?
The CAS number of Α-酮异己酸 is 816-66-0.
What is the molecular formula of Α-酮异己酸?
The molecular formula of Α-酮异己酸 is C6H10O3.
What is the molecular weight of Α-酮异己酸?
The molecular weight of Α-酮异己酸 is 130.06 g/mol.
Where can I buy Α-酮异己酸?
You can request a quote for Α-酮异己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-酮异己酸?
Yes, KEHONG BIO provides custom synthesis services for Α-酮异己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.