频哪醇酮
TL;DR: 频哪醇酮 (CAS 75-97-8) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
频哪醇酮
3,3-dimethylbutan-2-one
Also Known As: Pinacolone, Pinacolin, Pinacoline, 3,3-DIMETHYL-2-BUTANONE, 3,3-dimethylbutan-2-one
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| Melting Point | -52.5 °C |
| Boiling Point | 106.1 °C |
| Density | 0.7229 at 25 °C/25 °C |
| Solubility | Soluble in ethanol, ether, acetone, carbon tetrachloride |
| Flash Point | 23 °C |
| Vapor Pressure | 31.5 [mmHg] |
| Refractive Index | 1.3952 at 20 °C |
Chemical Identifiers
| CAS Number | 75-97-8 |
|---|---|
| SMILES | CC(=O)C(C)(C)C |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
频哪醇酮 (CAS 75-97-8), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 3,3-dimethylbutan-2-one.
Chemical Property Profile of 频哪醇酮
Property Insights of 频哪醇酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 频哪醇酮. With a topological polar surface area (TPSA) of 17.1 Ų, 频哪醇酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 频哪醇酮 has 0 hydrogen bond donor(s) and 1 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 频哪醇酮?
The CAS number of 频哪醇酮 is 75-97-8.
What is the molecular formula of 频哪醇酮?
The molecular formula of 频哪醇酮 is C6H12O.
What is the molecular weight of 频哪醇酮?
The molecular weight of 频哪醇酮 is 100.09 g/mol.
Where can I buy 频哪醇酮?
You can request a quote for 频哪醇酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 频哪醇酮?
Yes, KEHONG BIO provides custom synthesis services for 频哪醇酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.