RefChem:1096269
TL;DR: RefChem:1096269 (CAS 55618-68-3) is a chemical compound with molecular formula C42H62Cl2N2O4 and molecular weight 728.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-oxo-2-propoxyethyl)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, dipropyl ester, Piperidinium, 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(3-methyl-2-butene-4,1-diyl)]bis[1-(2-oxo-2-phenoxyethyl)-, dichloride, PIPERIDINIUM,1,1'-[[1,1'-BIPHENYL]-4,4'-DIYLBIS(3-METHYL-2-BUTENE-4,1-DIYL)]BIS[1-(2-OXO-2-PROPOXYETHYL)-,DICHLORIDE (9CI), propyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-oxo-2-propoxyethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate dichloride, propyl2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-oxo-2-propoxyethyl)piperidin-1-ium-1-yl]but-2-enyl]phenyl]phenyl]but-2-enyl]piperidin-1-ium-1-yl]acetate
| Molecular Formula | C42H62Cl2N2O4 |
|---|---|
| Molecular Weight | 728.41 g/mol |
| LogP | 2.247 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 728.4087 |
| Heavy Atoms | 50 |
| Complexity | 1253.6276 |
Chemical Identifiers
| CAS Number | 55618-68-3 |
|---|---|
| SMILES | CCCOC(=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)OCCC)/C)\C.[Cl-].[Cl-] |
Product Overview
RefChem:1096269 (CAS 55618-68-3), with molecular formula C42H62Cl2N2O4 and molecular weight 728.41 g/mol. IUPAC: propyl 2-[1-[(E)-3-methyl-4-[4-[4-[(E)-2-methyl-4-[1-(2-oxo-2-propoxyethyl)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:1096269
Property Insights of RefChem:1096269
The XLogP value of 2.247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096269. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1096269 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096269 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:1096269?
The CAS number of RefChem:1096269 is 55618-68-3.
What is the molecular formula of RefChem:1096269?
The molecular formula of RefChem:1096269 is C42H62Cl2N2O4.
What is the molecular weight of RefChem:1096269?
The molecular weight of RefChem:1096269 is 728.41 g/mol.
Where can I buy RefChem:1096269?
You can request a quote for RefChem:1096269 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096269?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096269 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.