Benzyl isopropyl ketone
TL;DR: Benzyl isopropyl ketone (CAS 2893-05-2) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenylbutan-2-one
Also Known As: Benzyl isopropyl ketone, 3-Methyl-1-phenylbutan-2-one, 3-Methyl-1-phenyl-2-butanone, Isomenthone, Isopropylbenzyl ketone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 2893-05-2 |
|---|---|
| SMILES | CC(C)C(=O)CC1=CC=CC=C1 |
| InChIKey | ZATIMOAGKJEVGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl isopropyl ketone (CAS 2893-05-2), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-methyl-1-phenylbutan-2-one.
Chemical Property Profile of Benzyl isopropyl ketone
Property Insights of Benzyl isopropyl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl isopropyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Benzyl isopropyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl isopropyl ketone 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 Benzyl isopropyl ketone?
The CAS number of Benzyl isopropyl ketone is 2893-05-2.
What is the molecular formula of Benzyl isopropyl ketone?
The molecular formula of Benzyl isopropyl ketone is C11H14O.
What is the molecular weight of Benzyl isopropyl ketone?
The molecular weight of Benzyl isopropyl ketone is 162.10 g/mol.
Where can I buy Benzyl isopropyl ketone?
You can request a quote for Benzyl isopropyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl isopropyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Benzyl isopropyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.