1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one
TL;DR: 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one (CAS 6998-56-7) is a chemical compound with molecular formula C22H35NO2 and molecular weight 345.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one
Also Known As: ChemDiv3_004390, IDI1_022300, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one, 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(piperidin-1-yl)propan-1-one, BRD-K94397943-001-01-0
| Molecular Formula | C22H35NO2 |
|---|---|
| Molecular Weight | 345.27 g/mol |
| LogP | 5.0459 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.26678 |
| Heavy Atoms | 25 |
| Complexity | 578.89 |
Chemical Identifiers
| CAS Number | 6998-56-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CCN2CCCCC2 |
Product Overview
1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one (CAS 6998-56-7), with molecular formula C22H35NO2 and molecular weight 345.27 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one.
Chemical Property Profile of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one
Property Insights of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one
The XLogP value of 5.0459 indicates that 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one?
The CAS number of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one is 6998-56-7.
What is the molecular formula of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one?
The molecular formula of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one is C22H35NO2.
What is the molecular weight of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one?
The molecular weight of 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one is 345.27 g/mol.
Where can I buy 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one?
You can request a quote for 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-piperidin-1-ylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.