Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester
TL;DR: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester (CAS 42528-19-8) is a chemical compound with molecular formula C28H46ClNO2 and molecular weight 463.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 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-(decyloxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester, decyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[2-(decyloxy)-2-oxoethyl]-1-(3-methyl-4-phenyl-2-butenyl)-, chloride, RefChem:1096294
| Molecular Formula | C28H46ClNO2 |
|---|---|
| Molecular Weight | 463.32 g/mol |
| LogP | 3.864 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 463.32172 |
| Heavy Atoms | 32 |
| Complexity | 638.0923 |
Chemical Identifiers
| CAS Number | 42528-19-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=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, decyl ester (CAS 42528-19-8), with molecular formula C28H46ClNO2 and molecular weight 463.32 g/mol. IUPAC: decyl 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, decyl ester
Property Insights of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester
The XLogP value of 3.864 indicates that Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl 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, decyl 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, decyl ester?
The CAS number of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester is 42528-19-8.
What is the molecular formula of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester?
The molecular formula of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester is C28H46ClNO2.
What is the molecular weight of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester?
The molecular weight of Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester is 463.32 g/mol.
Where can I buy Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester?
You can request a quote for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl 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, decyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.