杀鼠酮
TL;DR: 杀鼠酮 (CAS 83-26-1) 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.
杀鼠酮
2-(2,2-dimethylpropanoyl)indene-1,3-dione
Also Known As: PINDONE, Chemrat, Pivalyl, Pivalyn, Pival
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 351.0 |
| Melting Point | 227.3 to 110.5 °C |
| Boiling Point | Decomposes |
| Density | 1.06 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | Very low |
Chemical Identifiers
| CAS Number | 83-26-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | RZKYEQDPDZUERB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
杀鼠酮 (CAS 83-26-1), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-(2,2-dimethylpropanoyl)indene-1,3-dione.
Chemical Property Profile of 杀鼠酮
Property Insights of 杀鼠酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 杀鼠酮. With a topological polar surface area (TPSA) of 51.2 Ų, 杀鼠酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 杀鼠酮 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 杀鼠酮?
The CAS number of 杀鼠酮 is 83-26-1.
What is the molecular formula of 杀鼠酮?
The molecular formula of 杀鼠酮 is C14H14O3.
What is the molecular weight of 杀鼠酮?
The molecular weight of 杀鼠酮 is 230.09 g/mol.
Where can I buy 杀鼠酮?
You can request a quote for 杀鼠酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 杀鼠酮?
Yes, KEHONG BIO provides custom synthesis services for 杀鼠酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.