RefChem:1079240
TL;DR: RefChem:1079240 (CAS 22344-59-8) is a chemical compound with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride
Also Known As: Benzoic acid, p-(4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride, p-(4-Piperidino-2-butenyl)benzoic acid (2-(diethylamino)ethyl) ester dihydrochloride, diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride, Benzoic acid, 4-[4-(1-piperidinyl)-2-butenyl]-, 2-(diethylamino)ethyl ester, dihydrochloride, RefChem:1079240
| Molecular Formula | C22H36Cl2N2O2 |
|---|---|
| Molecular Weight | 430.22 g/mol |
| LogP | -5.0564 |
| Topological Polar Surface Area | 35.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.2154 |
| Heavy Atoms | 28 |
| Complexity | 554.1601 |
Chemical Identifiers
| CAS Number | 22344-59-8 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)C/C=C/C[NH+]2CCCCC2.[Cl-].[Cl-] |
Product Overview
RefChem:1079240 (CAS 22344-59-8), with molecular formula C22H36Cl2N2O2 and molecular weight 430.22 g/mol. IUPAC: diethyl-[2-[4-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride.
Chemical Property Profile of RefChem:1079240
Property Insights of RefChem:1079240
The XLogP value of -5.0564 indicates that RefChem:1079240 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.18 Ų, RefChem:1079240 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079240 has 2 hydrogen bond donor(s) and 2 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:1079240?
The CAS number of RefChem:1079240 is 22344-59-8.
What is the molecular formula of RefChem:1079240?
The molecular formula of RefChem:1079240 is C22H36Cl2N2O2.
What is the molecular weight of RefChem:1079240?
The molecular weight of RefChem:1079240 is 430.22 g/mol.
Where can I buy RefChem:1079240?
You can request a quote for RefChem:1079240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079240?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.