瓦隆
TL;DR: 瓦隆 (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.
瓦隆
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
瓦隆 (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 瓦隆
Property Insights of 瓦隆
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 瓦隆. With a topological polar surface area (TPSA) of 51.2 Ų, 瓦隆 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 瓦隆 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 瓦隆?
The CAS number of 瓦隆 is 83-28-3.
What is the molecular formula of 瓦隆?
The molecular formula of 瓦隆 is C14H14O3.
What is the molecular weight of 瓦隆?
The molecular weight of 瓦隆 is 230.09 g/mol.
Where can I buy 瓦隆?
You can request a quote for 瓦隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 瓦隆?
Yes, KEHONG BIO provides custom synthesis services for 瓦隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.