3-Pentanone, 2-methyl-4-phenyl-
TL;DR: 3-Pentanone, 2-methyl-4-phenyl- (CAS 20474-49-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-phenylpentan-3-one
Also Known As: 2-methyl-4-phenylpentan-3-one, 3-Pentanone, 2-methyl-4-phenyl-, 2-Methyl-4-phenyl-3-pentanone, 2-Phenyl-4-methyl-3-pentanone, alpha-Methylbenzylisopropyl ketone
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 20474-49-1 |
|---|---|
| SMILES | CC(C)C(=O)C(C)C1=CC=CC=C1 |
| InChIKey | PIHILDSKUZXCLF-UHFFFAOYSA-N |
Product Overview
3-Pentanone, 2-methyl-4-phenyl- (CAS 20474-49-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2-methyl-4-phenylpentan-3-one.
Chemical Property Profile of 3-Pentanone, 2-methyl-4-phenyl-
Property Insights of 3-Pentanone, 2-methyl-4-phenyl-
The XLogP value of 3.2 indicates that 3-Pentanone, 2-methyl-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Pentanone, 2-methyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanone, 2-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 3-Pentanone, 2-methyl-4-phenyl-?
The CAS number of 3-Pentanone, 2-methyl-4-phenyl- is 20474-49-1.
What is the molecular formula of 3-Pentanone, 2-methyl-4-phenyl-?
The molecular formula of 3-Pentanone, 2-methyl-4-phenyl- is C12H16O.
What is the molecular weight of 3-Pentanone, 2-methyl-4-phenyl-?
The molecular weight of 3-Pentanone, 2-methyl-4-phenyl- is 176.12 g/mol.
Where can I buy 3-Pentanone, 2-methyl-4-phenyl-?
You can request a quote for 3-Pentanone, 2-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 3-Pentanone, 2-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, 2-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.