2-Butanone, 3-methyl-4-phenyl-
TL;DR: 2-Butanone, 3-methyl-4-phenyl- (CAS 2550-27-8) 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-4-phenylbutan-2-one
Also Known As: 3-Methyl-4-phenylbutan-2-one, 3-Methyl-4-phenyl-2-butanone, 3-Benzylbutane-2-one, 2-Butanone, 3-methyl-4-phenyl-, (2-methyl-3-oxobutyl)benzene
| 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 | 145.0 |
Chemical Identifiers
| CAS Number | 2550-27-8 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(=O)C |
| InChIKey | YEHRTTZJTORGJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butanone, 3-methyl-4-phenyl- (CAS 2550-27-8), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-methyl-4-phenylbutan-2-one.
Chemical Property Profile of 2-Butanone, 3-methyl-4-phenyl-
Property Insights of 2-Butanone, 3-methyl-4-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 3-methyl-4-phenyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone, 3-methyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 3-methyl-4-phenyl- 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-Butanone, 3-methyl-4-phenyl-?
The CAS number of 2-Butanone, 3-methyl-4-phenyl- is 2550-27-8.
What is the molecular formula of 2-Butanone, 3-methyl-4-phenyl-?
The molecular formula of 2-Butanone, 3-methyl-4-phenyl- is C11H14O.
What is the molecular weight of 2-Butanone, 3-methyl-4-phenyl-?
The molecular weight of 2-Butanone, 3-methyl-4-phenyl- is 162.10 g/mol.
Where can I buy 2-Butanone, 3-methyl-4-phenyl-?
You can request a quote for 2-Butanone, 3-methyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.