Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
TL;DR: Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride (CAS 22344-60-1) is a chemical compound with molecular formula C23H38Cl2N2O2 and molecular weight 444.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride
Also Known As: Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride, BENZOIC ACID, p-(2-METHYL-4-PIPERIDINO-2-BUTENYL)-, (2-(DIETHYLAMINO)ETHYL) ESTE, Benzoic acid, 4-[2-methyl-4-(1-piperidinyl)-2-butenyl]-, 2-(diethylamino)ethyl ester, dihydrochloride, diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride, RefChem:1079230
| Molecular Formula | C23H38Cl2N2O2 |
|---|---|
| Molecular Weight | 444.23 g/mol |
| LogP | -4.6663 |
| Topological Polar Surface Area | 35.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.23105 |
| Heavy Atoms | 29 |
| Complexity | 595.4003 |
Chemical Identifiers
| CAS Number | 22344-60-1 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)C/C(=C/C[NH+]2CCCCC2)/C.[Cl-].[Cl-] |
Product Overview
Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride (CAS 22344-60-1), with molecular formula C23H38Cl2N2O2 and molecular weight 444.23 g/mol. IUPAC: diethyl-[2-[4-[(E)-2-methyl-4-piperidin-1-ium-1-ylbut-2-enyl]benzoyl]oxyethyl]azanium dichloride.
Chemical Property Profile of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
Property Insights of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride
The XLogP value of -4.6663 indicates that Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride 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, Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride 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 Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride?
The CAS number of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride is 22344-60-1.
What is the molecular formula of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride?
The molecular formula of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride is C23H38Cl2N2O2.
What is the molecular weight of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride?
The molecular weight of Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride is 444.23 g/mol.
Where can I buy Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride?
You can request a quote for Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(2-methyl-4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.