RefChem:1096263
TL;DR: RefChem:1096263 (CAS 55618-72-9) is a chemical compound with molecular formula C50H78Cl2N2O4 and molecular weight 840.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-heptoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-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, diheptyl ester, heptyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-heptoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-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-(heptyloxy)-2-oxoethyl]-, dichloride, RefChem:1096263
| Molecular Formula | C50H78Cl2N2O4 |
|---|---|
| Molecular Weight | 840.53 g/mol |
| LogP | 5.3678 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 840.5339 |
| Heavy Atoms | 58 |
| Complexity | 1378.9568 |
Chemical Identifiers
| CAS Number | 55618-72-9 |
|---|---|
| SMILES | CCCCCCCOC(=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)OCCCCCCC)/C)\C.[Cl-].[Cl-] |
Product Overview
RefChem:1096263 (CAS 55618-72-9), with molecular formula C50H78Cl2N2O4 and molecular weight 840.53 g/mol. IUPAC: heptyl 2-[1-[(E)-4-[4-[4-[(E)-4-[1-(2-heptoxy-2-oxoethyl)piperidin-1-ium-1-yl]-2-methylbut-2-enyl]phenyl]phenyl]-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate dichloride.
Chemical Property Profile of RefChem:1096263
Property Insights of RefChem:1096263
The XLogP value of 5.3678 indicates that RefChem:1096263 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:1096263 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096263 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:1096263?
The CAS number of RefChem:1096263 is 55618-72-9.
What is the molecular formula of RefChem:1096263?
The molecular formula of RefChem:1096263 is C50H78Cl2N2O4.
What is the molecular weight of RefChem:1096263?
The molecular weight of RefChem:1096263 is 840.53 g/mol.
Where can I buy RefChem:1096263?
You can request a quote for RefChem:1096263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096263?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.