RefChem:1096311
TL;DR: RefChem:1096311 (CAS 52171-86-5) is a chemical compound with molecular formula C27H43BrClNO2 and molecular weight 527.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(4-(o-Bromophenyl)-2-butenyl)-1-(decyloxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(4-(o-bromophenyl)-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester, decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[4-(2-bromophenyl)-2-butenyl]-1-[2-(decyloxy)-2-oxoethyl]-, chloride, RefChem:1096311
| Molecular Formula | C27H43BrClNO2 |
|---|---|
| Molecular Weight | 527.22 g/mol |
| LogP | 4.2364 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 527.21655 |
| Heavy Atoms | 32 |
| Complexity | 658.81134 |
Chemical Identifiers
| CAS Number | 52171-86-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br.[Cl-] |
Product Overview
RefChem:1096311 (CAS 52171-86-5), with molecular formula C27H43BrClNO2 and molecular weight 527.22 g/mol. IUPAC: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096311
Property Insights of RefChem:1096311
The XLogP value of 4.2364 indicates that RefChem:1096311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1096311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096311 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096311?
The CAS number of RefChem:1096311 is 52171-86-5.
What is the molecular formula of RefChem:1096311?
The molecular formula of RefChem:1096311 is C27H43BrClNO2.
What is the molecular weight of RefChem:1096311?
The molecular weight of RefChem:1096311 is 527.22 g/mol.
Where can I buy RefChem:1096311?
You can request a quote for RefChem:1096311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.