RefChem:228838
TL;DR: RefChem:228838 (CAS 62270-79-5) is a chemical compound with molecular formula C22H35Cl3N2O2 and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride
Also Known As: 1-Butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride, 1-(4-(3-Chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-1-butanone dihydrochloride, 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride, RefChem:228838
| Molecular Formula | C22H35Cl3N2O2 |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | -5.06 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.17642 |
| Heavy Atoms | 29 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 62270-79-5 |
|---|---|
| SMILES | CCCC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-] |
| InChIKey | MKVBRUIECRNBAA-UHFFFAOYSA-N |
Product Overview
RefChem:228838 (CAS 62270-79-5), with molecular formula C22H35Cl3N2O2 and molecular weight 464.18 g/mol. IUPAC: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride.
Chemical Property Profile of RefChem:228838
Property Insights of RefChem:228838
The XLogP value of -5.06 indicates that RefChem:228838 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.2 Ų, RefChem:228838 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228838 has 2 hydrogen bond donor(s) and 4 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:228838?
The CAS number of RefChem:228838 is 62270-79-5.
What is the molecular formula of RefChem:228838?
The molecular formula of RefChem:228838 is C22H35Cl3N2O2.
What is the molecular weight of RefChem:228838?
The molecular weight of RefChem:228838 is 464.18 g/mol.
Where can I buy RefChem:228838?
You can request a quote for RefChem:228838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228838?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.