Valone
TL;DR: Valone (CAS 83-28-3) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutanoyl)indene-1,3-dione
Also Known As: VALONE, Isoval, 2-Isovaleryl-1,3-indanedione, Isovaleryl indandione, Motomco tracking powder
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
| Melting Point | 68-69 °C |
| Solubility | Insoluble in water; soluble in common organic solvents. |
| Vapor Pressure | 0.00000688 [mmHg] |
Chemical Identifiers
| CAS Number | 83-28-3 |
|---|---|
| SMILES | CC(C)CC(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | PVWMAOPFDINGAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valone (CAS 83-28-3), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-(3-methylbutanoyl)indene-1,3-dione.
Chemical Property Profile of Valone
Property Insights of Valone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valone. With a topological polar surface area (TPSA) of 51.2 Ų, Valone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valone 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 Valone?
The CAS number of Valone is 83-28-3.
What is the molecular formula of Valone?
The molecular formula of Valone is C14H14O3.
What is the molecular weight of Valone?
The molecular weight of Valone is 230.09 g/mol.
Where can I buy Valone?
You can request a quote for Valone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valone?
Yes, KEHONG BIO provides custom synthesis services for Valone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.