RefChem:341170
TL;DR: RefChem:341170 (CAS 62270-73-9) is a chemical compound with molecular formula C21H33Cl3N2O and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride
Also Known As: Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)-, dihydrochloride, 1-(4-(3-Chlorophenyl)-1-(3-(1-piperidinyl)propyl)-4-piperidinyl)ethanone dihydrochloride, 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride, RefChem:341170
| Molecular Formula | C21H33Cl3N2O |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | -4.69 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.16583 |
| Heavy Atoms | 27 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 62270-73-9 |
|---|---|
| SMILES | CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCCCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-] |
| InChIKey | YRXZZAPDLBNZSQ-UHFFFAOYSA-N |
Product Overview
RefChem:341170 (CAS 62270-73-9), with molecular formula C21H33Cl3N2O and molecular weight 434.17 g/mol. IUPAC: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride.
Chemical Property Profile of RefChem:341170
Property Insights of RefChem:341170
The XLogP value of -4.69 indicates that RefChem:341170 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.0 Ų, RefChem:341170 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:341170 has 2 hydrogen bond donor(s) and 3 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:341170?
The CAS number of RefChem:341170 is 62270-73-9.
What is the molecular formula of RefChem:341170?
The molecular formula of RefChem:341170 is C21H33Cl3N2O.
What is the molecular weight of RefChem:341170?
The molecular weight of RefChem:341170 is 434.17 g/mol.
Where can I buy RefChem:341170?
You can request a quote for RefChem:341170 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:341170?
Yes, KEHONG BIO provides custom synthesis services for RefChem:341170 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.