3-甲基-2-戊酮
TL;DR: 3-甲基-2-戊酮 (CAS 565-61-7) 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.
3-甲基-2-戊酮
3-methylpentan-2-one
Also Known As: 3-Methyl-2-pentanone, 3-METHYLPENTAN-2-ONE, Methyl sec-butyl ketone, sec-Butyl methyl ketone, 2-Pentanone, 3-methyl-
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.3 |
| 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 | 66.0 |
| Vapor Pressure | 11.6 [mmHg] |
Chemical Identifiers
| CAS Number | 565-61-7 |
|---|---|
| SMILES | CCC(C)C(=O)C |
| InChIKey | UIHCLUNTQKBZGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-戊酮 (CAS 565-61-7), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 3-methylpentan-2-one.
Chemical Property Profile of 3-甲基-2-戊酮
Property Insights of 3-甲基-2-戊酮
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-戊酮. With a topological polar surface area (TPSA) of 17.1 Ų, 3-甲基-2-戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-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 3-甲基-2-戊酮?
The CAS number of 3-甲基-2-戊酮 is 565-61-7.
What is the molecular formula of 3-甲基-2-戊酮?
The molecular formula of 3-甲基-2-戊酮 is C6H12O.
What is the molecular weight of 3-甲基-2-戊酮?
The molecular weight of 3-甲基-2-戊酮 is 100.09 g/mol.
Where can I buy 3-甲基-2-戊酮?
You can request a quote for 3-甲基-2-戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-戊酮?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.