1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-
TL;DR: 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- (CAS 96863-69-3) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one
Also Known As: 3-Hydroxy-2,2,4-trimethylvalerophenone, Valerophenone, 3-hydroxy-2,2,4-trimethyl-, 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-, 3-Hydroxy-1-phenyl-2,2,4-trimethyl-1-pentanone, 3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 2.9124 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 352.2579 |
Chemical Identifiers
| CAS Number | 96863-69-3 |
|---|---|
| SMILES | CC(C)C(C(C)(C)C(=O)C1=CC=CC=C1)O |
Product Overview
1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- (CAS 96863-69-3), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 3-hydroxy-2,2,4-trimethyl-1-phenylpentan-1-one.
Chemical Property Profile of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-
Property Insights of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-
The XLogP value of 2.9124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- has 1 hydrogen bond donor(s) and 2 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 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-?
The CAS number of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- is 96863-69-3.
What is the molecular formula of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-?
The molecular formula of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- is C14H20O2.
What is the molecular weight of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-?
The molecular weight of 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- is 220.15 g/mol.
Where can I buy 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-?
You can request a quote for 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentanone, 3-hydroxy-1-phenyl-2,2,4-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.