RefChem:341172
TL;DR: RefChem:341172 (CAS 62270-77-3) is a chemical compound with molecular formula C20H31Cl3N2O2 and molecular weight 436.15 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]ethanone dichloride
Also Known As: Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride, 1-(4-(3-Chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)ethanone dihydrochloride, 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride, RefChem:341172
| Molecular Formula | C20H31Cl3N2O2 |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | -5.84 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.1451 |
| Heavy Atoms | 27 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 62270-77-3 |
|---|---|
| SMILES | CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-] |
| InChIKey | XSLYGZDGQKTLSE-UHFFFAOYSA-N |
Product Overview
RefChem:341172 (CAS 62270-77-3), with molecular formula C20H31Cl3N2O2 and molecular weight 436.15 g/mol. IUPAC: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride.
Chemical Property Profile of RefChem:341172
Property Insights of RefChem:341172
The XLogP value of -5.84 indicates that RefChem:341172 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:341172 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:341172 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:341172?
The CAS number of RefChem:341172 is 62270-77-3.
What is the molecular formula of RefChem:341172?
The molecular formula of RefChem:341172 is C20H31Cl3N2O2.
What is the molecular weight of RefChem:341172?
The molecular weight of RefChem:341172 is 436.15 g/mol.
Where can I buy RefChem:341172?
You can request a quote for RefChem:341172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.