RefChem:331460
TL;DR: RefChem:331460 (CAS 57257-41-7) is a chemical compound with molecular formula C28H30Cl2FNO2 and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: 4-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride, Butyrophenone, 4-(4-(p-chloro-alpha-hydroxy-alpha-phenylbenzyl)piperidino)-4'-fluoro-, hydrochloride, BUTYROPHENONE, 4-(4-(p-CHLORO-alpha-HYDROXY-alpha-PHENYLBENZYL)PIPERIDINO)-4'-FL, RefChem:331460
| Molecular Formula | C28H30Cl2FNO2 |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 1.68 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.16376 |
| Heavy Atoms | 34 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 57257-41-7 |
|---|---|
| SMILES | C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O)CCCC(=O)C4=CC=C(C=C4)F.[Cl-] |
| InChIKey | ITNIXNNCCRHPRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:331460 (CAS 57257-41-7), with molecular formula C28H30Cl2FNO2 and molecular weight 501.16 g/mol. IUPAC: 4-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of RefChem:331460
Property Insights of RefChem:331460
The XLogP value of 1.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331460. With a topological polar surface area (TPSA) of 41.7 Ų, RefChem:331460 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331460 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:331460?
The CAS number of RefChem:331460 is 57257-41-7.
What is the molecular formula of RefChem:331460?
The molecular formula of RefChem:331460 is C28H30Cl2FNO2.
What is the molecular weight of RefChem:331460?
The molecular weight of RefChem:331460 is 501.16 g/mol.
Where can I buy RefChem:331460?
You can request a quote for RefChem:331460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331460?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.