RefChem:1096267
TL;DR: RefChem:1096267 (CAS 55618-73-0) is a chemical compound with molecular formula C52H82Cl2N2O4 and molecular weight 868.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-octoxy-2-oxoethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate dichloride
Also Known As: Piperidinium, 1,1'-(p,p'-biphenylylenebis(3-methyl-2-butenylene))bis(1-carboxymethyl-, dichloride, dioctyl ester, octyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-octoxy-2-oxoethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate dichloride, Piperidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(3-methyl-2-butene-4,1-diyl)]bis[1-[2-(octyloxy)-2-oxoethyl]-, dichloride, RefChem:1096267
| Molecular Formula | C52H82Cl2N2O4 |
|---|---|
| Molecular Weight | 868.57 g/mol |
| LogP | 6.148 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 27 |
| Exact Mass | 868.5652 |
| Heavy Atoms | 60 |
| Complexity | 1410.5048 |
Chemical Identifiers
| CAS Number | 55618-73-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=C(C=C2)C3=CC=C(C=C3)C/C(=C/C[N+]4(CCCCC4)CC(=O)OCCCCCCCC)/C)\C.[Cl-].[Cl-] |
Product Overview
RefChem:1096267 (CAS 55618-73-0), with molecular formula C52H82Cl2N2O4 and molecular weight 868.57 g/mol. IUPAC: octyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-octoxy-2-oxoethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate dichloride.
Chemical Property Profile of RefChem:1096267
Property Insights of RefChem:1096267
The XLogP value of 6.148 indicates that RefChem:1096267 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1096267 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096267 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096267?
The CAS number of RefChem:1096267 is 55618-73-0.
What is the molecular formula of RefChem:1096267?
The molecular formula of RefChem:1096267 is C52H82Cl2N2O4.
What is the molecular weight of RefChem:1096267?
The molecular weight of RefChem:1096267 is 868.57 g/mol.
Where can I buy RefChem:1096267?
You can request a quote for RefChem:1096267 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096267?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096267 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.