RefChem:331421
TL;DR: RefChem:331421 (CAS 1880-04-2) is a chemical compound with molecular formula C22H33Cl2FN2O3 and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(4-morpholin-4-ium-4-yl-4-propanoylpiperidin-1-ium-1-yl)butan-1-one dichloride
Also Known As: Butyrophenone, 4'-fluoro-4-(4-morpholino-4-propionylpiperidino)-, dihydrochloride, 1-(3-(p-Fluorobenzoyl)propyl)-4-(4-morpholino)-4-propionylpiperidine dihydrochloride, 1-(4-fluorophenyl)-4-(4-morpholin-4-ium-4-yl-4-propanoylpiperidin-1-ium-1-yl)butan-1-one dichloride, RefChem:331421
| Molecular Formula | C22H33Cl2FN2O3 |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | -5.89 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.18524 |
| Heavy Atoms | 30 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 1880-04-2 |
|---|---|
| SMILES | CCC(=O)C1(CC[NH+](CC1)CCCC(=O)C2=CC=C(C=C2)F)[NH+]3CCOCC3.[Cl-].[Cl-] |
| InChIKey | PWASVWBDDRELRW-UHFFFAOYSA-N |
Product Overview
RefChem:331421 (CAS 1880-04-2), with molecular formula C22H33Cl2FN2O3 and molecular weight 462.19 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(4-morpholin-4-ium-4-yl-4-propanoylpiperidin-1-ium-1-yl)butan-1-one dichloride.
Chemical Property Profile of RefChem:331421
Property Insights of RefChem:331421
The XLogP value of -5.89 indicates that RefChem:331421 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, RefChem:331421 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331421 has 2 hydrogen bond donor(s) and 6 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:331421?
The CAS number of RefChem:331421 is 1880-04-2.
What is the molecular formula of RefChem:331421?
The molecular formula of RefChem:331421 is C22H33Cl2FN2O3.
What is the molecular weight of RefChem:331421?
The molecular weight of RefChem:331421 is 462.19 g/mol.
Where can I buy RefChem:331421?
You can request a quote for RefChem:331421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331421?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.