![{4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone structure](/static/products/866/866019-55-8.png)
{4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone
TL;DR: {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone (CAS 866019-55-8) is a chemical compound with molecular formula C21H22F3NO4S and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzylsulfonylmethyl)-4-hydroxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
Also Known As: {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone, 4X-0227, 4-(phenylmethanesulfonylmethyl)-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol, [4-(benzylsulfonylmethyl)-4-hydroxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
| Molecular Formula | C21H22F3NO4S |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 3.2875 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.12216 |
| Heavy Atoms | 30 |
| Complexity | 998.41156 |
Chemical Identifiers
| CAS Number | 866019-55-8 |
|---|---|
| SMILES | C1CN(CCC1(CS(=O)(=O)CC2=CC=CC=C2)O)C(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
{4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone (CAS 866019-55-8), with molecular formula C21H22F3NO4S and molecular weight 441.12 g/mol. IUPAC: [4-(benzylsulfonylmethyl)-4-hydroxypiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone
Property Insights of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone
The XLogP value of 3.2875 indicates that {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone. Following Lipinski's Rule of Five, {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone has 1 hydrogen bond donor(s) and 4 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 {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone?
The CAS number of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone is 866019-55-8.
What is the molecular formula of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone?
The molecular formula of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone is C21H22F3NO4S.
What is the molecular weight of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone?
The molecular weight of {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone is 441.12 g/mol.
Where can I buy {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone?
You can request a quote for {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for {4-[(benzylsulfonyl)methyl]-4-hydroxypiperidino}[3-(trifluoromethyl)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.