Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester
TL;DR: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester (CAS 49806-92-0) is a chemical compound with molecular formula C21H32ClNO2 and molecular weight 365.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-Benzyl-2-butenyl)-1-(propoxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester, Piperidinium, 1-(3-methyl-4-phenyl-2-butenyl)-1-(2-oxo-2-propoxyethyl)-, chloride, propyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, RefChem:1096302
| Molecular Formula | C21H32ClNO2 |
|---|---|
| Molecular Weight | 365.21 g/mol |
| LogP | 1.1333 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.21216 |
| Heavy Atoms | 25 |
| Complexity | 536.08685 |
Chemical Identifiers
| CAS Number | 49806-92-0 |
|---|---|
| SMILES | CCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-] |
Product Overview
Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester (CAS 49806-92-0), with molecular formula C21H32ClNO2 and molecular weight 365.21 g/mol. IUPAC: propyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester
Property Insights of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester
The XLogP value of 1.1333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester has 0 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 Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester?
The CAS number of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester is 49806-92-0.
What is the molecular formula of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester?
The molecular formula of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester is C21H32ClNO2.
What is the molecular weight of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester?
The molecular weight of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester is 365.21 g/mol.
Where can I buy Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester?
You can request a quote for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.