1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone
TL;DR: 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone (CAS 42144-19-4) is a chemical compound with molecular formula C16H24O and molecular weight 232.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)hexan-1-one
Also Known As: 1-(4-tert-butylphenyl)hexan-1-one, 1-(4-(tert-Butyl)phenyl)hexan-1-one, 1-(4-tert-Butyl-phenyl)-hexan-1-one, 1-(4-(t-butyl)phenyl)hexan-1-one, 1-(4-tert-Butylphenyl)-1-hexanone
| Molecular Formula | C16H24O |
|---|---|
| Molecular Weight | 232.18 g/mol |
| LogP | 4.7471 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.18271 |
| Heavy Atoms | 17 |
| Complexity | 354.10672 |
Chemical Identifiers
| CAS Number | 42144-19-4 |
|---|---|
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)C(C)(C)C |
Product Overview
1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone (CAS 42144-19-4), with molecular formula C16H24O and molecular weight 232.18 g/mol. IUPAC: 1-(4-tert-butylphenyl)hexan-1-one.
Chemical Property Profile of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone
Property Insights of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone
The XLogP value of 4.7471 indicates that 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone 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 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone?
The CAS number of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone is 42144-19-4.
What is the molecular formula of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone?
The molecular formula of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone is C16H24O.
What is the molecular weight of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone?
The molecular weight of 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone is 232.18 g/mol.
Where can I buy 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone?
You can request a quote for 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(1,1-Dimethylethyl)phenyl)-1-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.