RefChem:331391
TL;DR: RefChem:331391 (CAS 101221-57-2) is a chemical compound with molecular formula C24H29F3N2O2 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(dimethylamino)phenyl]-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Also Known As: Butyrophenone, 4'-(dimethylamino)-4-(4-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-hydroxypiperidino)-, 4-(4-(m-Trifluoromethylphenyl)-4-hydroxy)-1-piperidyl-p-dimethylaminobutyrophenone, 1-[4-(dimethylamino)phenyl]-4-{4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one, 1-(4-dimethylaminophenyl)-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one, 4 -Dimethylamino-gamma-[4-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-hydroxypiperidino]butyrophenone
| Molecular Formula | C24H29F3N2O2 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.2181 |
| Heavy Atoms | 31 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 101221-57-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)C(F)(F)F)O |
| InChIKey | RAUDSMKXFFPBCA-UHFFFAOYSA-N |
Product Overview
RefChem:331391 (CAS 101221-57-2), with molecular formula C24H29F3N2O2 and molecular weight 434.22 g/mol. IUPAC: 1-[4-(dimethylamino)phenyl]-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.
Chemical Property Profile of RefChem:331391
Property Insights of RefChem:331391
The XLogP value of 3.5 indicates that RefChem:331391 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, RefChem:331391 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331391 has 1 hydrogen bond donor(s) and 7 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:331391?
The CAS number of RefChem:331391 is 101221-57-2.
What is the molecular formula of RefChem:331391?
The molecular formula of RefChem:331391 is C24H29F3N2O2.
What is the molecular weight of RefChem:331391?
The molecular weight of RefChem:331391 is 434.22 g/mol.
Where can I buy RefChem:331391?
You can request a quote for RefChem:331391 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331391?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331391 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.