RefChem:1096326
TL;DR: RefChem:1096326 (CAS 62988-57-2) is a chemical compound with molecular formula C31H52ClNO3 and molecular weight 521.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-[1-[(E)-4-(4-methoxyphenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Also Known As: 1-(Dodecyloxycarbonylmethyl)-1-(3-(p-methoxybenzyl)-2-butenyl)piperidinium chloride, Piperidinium, 1-(carboxymethyl)-1-(3-(p-methoxybenzyl)-2-butenyl)-, chloride, dodecyl ester, dodecyl 2-[1-[(E)-4-(4-methoxyphenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride, Piperidinium, 1-[2-(dodecyloxy)-2-oxoethyl]-1-[4-(4-methoxyphenyl)-3-methyl-2-butenyl]-, chloride, RefChem:1096326
| Molecular Formula | C31H52ClNO3 |
|---|---|
| Molecular Weight | 521.36 g/mol |
| LogP | 4.6528 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 521.3636 |
| Heavy Atoms | 36 |
| Complexity | 725.8411 |
Chemical Identifiers
| CAS Number | 62988-57-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=C(C=C2)OC.[Cl-] |
Product Overview
RefChem:1096326 (CAS 62988-57-2), with molecular formula C31H52ClNO3 and molecular weight 521.36 g/mol. IUPAC: dodecyl 2-[1-[(E)-4-(4-methoxyphenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride.
Chemical Property Profile of RefChem:1096326
Property Insights of RefChem:1096326
The XLogP value of 4.6528 indicates that RefChem:1096326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, RefChem:1096326 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096326 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096326?
The CAS number of RefChem:1096326 is 62988-57-2.
What is the molecular formula of RefChem:1096326?
The molecular formula of RefChem:1096326 is C31H52ClNO3.
What is the molecular weight of RefChem:1096326?
The molecular weight of RefChem:1096326 is 521.36 g/mol.
Where can I buy RefChem:1096326?
You can request a quote for RefChem:1096326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096326?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.