RefChem:331390
TL;DR: RefChem:331390 (CAS 101221-65-2) is a chemical compound with molecular formula C27H33F3N2O3 and molecular weight 490.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Also Known As: Butyrophenone, 4'-(4-hydroxypiperidino)-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-, 4-(4-(m-Trifluoromethylphenyl)-4-hydroxypiperidino)-p-(4-hydroxypiperidino)butyrophenone, 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one, 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one, BUTYROPHENONE, 4'-(4-HYDROXYPIPERIDINO)-4-(4-HYDROXY-4-(alpha,alpha,alpha-TRIFLU
| Molecular Formula | C27H33F3N2O3 |
|---|---|
| Molecular Weight | 490.24 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.24432 |
| Heavy Atoms | 35 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 101221-65-2 |
|---|---|
| SMILES | C1CN(CCC1O)C2=CC=C(C=C2)C(=O)CCCN3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O |
| InChIKey | ALZMYTGCGYGPQN-UHFFFAOYSA-N |
Product Overview
RefChem:331390 (CAS 101221-65-2), with molecular formula C27H33F3N2O3 and molecular weight 490.24 g/mol. IUPAC: 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.
Chemical Property Profile of RefChem:331390
Property Insights of RefChem:331390
The XLogP value of 3.4 indicates that RefChem:331390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331390. Following Lipinski's Rule of Five, RefChem:331390 has 2 hydrogen bond donor(s) and 8 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 RefChem:331390?
The CAS number of RefChem:331390 is 101221-65-2.
What is the molecular formula of RefChem:331390?
The molecular formula of RefChem:331390 is C27H33F3N2O3.
What is the molecular weight of RefChem:331390?
The molecular weight of RefChem:331390 is 490.24 g/mol.
Where can I buy RefChem:331390?
You can request a quote for RefChem:331390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331390?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.