RefChem:228868
TL;DR: RefChem:228868 (CAS 43076-39-7) is a chemical compound with molecular formula C28H31ClFNO2 and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
Also Known As: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-, hydrochloride, 1-(4-Fluorophenyl)-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butanone hydrochloride, 1-(4-fluorophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one hydrochloride, 4'-fluoro-4-[4-(alpha-hydroxy-alpha-phenylbenzyl)piperidino]butyrophenone hydrochloride, 1-(4-Fluorophenyl)-4-{4-[hydroxydi(phenyl)methyl]piperidin-1-yl}butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C28H31ClFNO2 |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | 5.8585 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.20273 |
| Heavy Atoms | 33 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 43076-39-7 |
|---|---|
| SMILES | C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC(=O)C4=CC=C(C=C4)F.Cl |
| InChIKey | GAUUGHUPPXPIET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:228868 (CAS 43076-39-7), with molecular formula C28H31ClFNO2 and molecular weight 467.20 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:228868
Property Insights of RefChem:228868
The XLogP value of 5.8585 indicates that RefChem:228868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:228868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228868 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228868?
The CAS number of RefChem:228868 is 43076-39-7.
What is the molecular formula of RefChem:228868?
The molecular formula of RefChem:228868 is C28H31ClFNO2.
What is the molecular weight of RefChem:228868?
The molecular weight of RefChem:228868 is 467.20 g/mol.
Where can I buy RefChem:228868?
You can request a quote for RefChem:228868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228868?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.