2-甲基-3-戊酮
TL;DR: 2-甲基-3-戊酮 (CAS 565-69-5) 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.
2-甲基-3-戊酮
2-methylpentan-3-one
Also Known As: 2-METHYL-3-PENTANONE, 2-Methylpentan-3-one, Ethyl isopropyl ketone, 3-Pentanone, 2-methyl-, 4-Methyl-3-pentanone
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
| Boiling Point | 113.5 °C |
| Solubility | 15.5 mg/mL at 25 °C |
| Vapor Pressure | 18.1 [mmHg] |
Chemical Identifiers
| CAS Number | 565-69-5 |
|---|---|
| SMILES | CCC(=O)C(C)C |
| InChIKey | HYTRYEXINDDXJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-戊酮 (CAS 565-69-5), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-methylpentan-3-one.
Chemical Property Profile of 2-甲基-3-戊酮
Property Insights of 2-甲基-3-戊酮
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-戊酮. With a topological polar surface area (TPSA) of 17.1 Ų, 2-甲基-3-戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-戊酮 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 2-甲基-3-戊酮?
The CAS number of 2-甲基-3-戊酮 is 565-69-5.
What is the molecular formula of 2-甲基-3-戊酮?
The molecular formula of 2-甲基-3-戊酮 is C6H12O.
What is the molecular weight of 2-甲基-3-戊酮?
The molecular weight of 2-甲基-3-戊酮 is 100.09 g/mol.
Where can I buy 2-甲基-3-戊酮?
You can request a quote for 2-甲基-3-戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-3-戊酮?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.