3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one
TL;DR: 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one (CAS 93643-55-1) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4,4-dimethyl-1-phenylpentan-1-one
Also Known As: 3-hydroxy-4,4-dimethyl-1-phenylpentan-1-one, beta-Hydroxy-beta-tert-butylpropiophenone, 1-Phenyl-3-hydroxy-4,4-dimethyl-1-pentanone, 3-hydroxy-4,4-dimethyl-1-phenyl-pentan-1-one, 1-Pentanone, 3-hydroxy-4,4-dimethyl-1-phenyl-
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.6664 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 322.13922 |
Chemical Identifiers
| CAS Number | 93643-55-1 |
|---|---|
| SMILES | CC(C)(C)C(CC(=O)C1=CC=CC=C1)O |
Product Overview
3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one (CAS 93643-55-1), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 3-hydroxy-4,4-dimethyl-1-phenylpentan-1-one.
Chemical Property Profile of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one
Property Insights of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one
The XLogP value of 2.6664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one 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 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one?
The CAS number of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one is 93643-55-1.
What is the molecular formula of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one?
The molecular formula of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one is C13H18O2.
What is the molecular weight of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one?
The molecular weight of 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one is 206.13 g/mol.
Where can I buy 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one?
You can request a quote for 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4,4-dimethyl-1-phenylpentan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.