RefChem:1096322
TL;DR: RefChem:1096322 (CAS 62988-52-7) is a chemical compound with molecular formula C27H43Cl2NO2 and molecular weight 483.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(3-(o-Chlorobenzyl)-2-butenyl)-1-(nonyloxycarbonylmethyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, nonyl ester, nonyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[4-(2-chlorophenyl)-3-methyl-2-butenyl]-1-[2-(nonyloxy)-2-oxoethyl]-, chloride, RefChem:1096322
| Molecular Formula | C27H43Cl2NO2 |
|---|---|
| Molecular Weight | 483.27 g/mol |
| LogP | 4.1273 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 483.2671 |
| Heavy Atoms | 32 |
| Complexity | 683.98883 |
Chemical Identifiers
| CAS Number | 62988-52-7 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2Cl.[Cl-] |
Product Overview
RefChem:1096322 (CAS 62988-52-7), with molecular formula C27H43Cl2NO2 and molecular weight 483.27 g/mol. IUPAC: nonyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096322
Property Insights of RefChem:1096322
The XLogP value of 4.1273 indicates that RefChem:1096322 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:1096322 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096322 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 RefChem:1096322?
The CAS number of RefChem:1096322 is 62988-52-7.
What is the molecular formula of RefChem:1096322?
The molecular formula of RefChem:1096322 is C27H43Cl2NO2.
What is the molecular weight of RefChem:1096322?
The molecular weight of RefChem:1096322 is 483.27 g/mol.
Where can I buy RefChem:1096322?
You can request a quote for RefChem:1096322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096322?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.