RefChem:318894
TL;DR: RefChem:318894 (CAS 28003-33-0) is a chemical compound with molecular formula C40H52Br2N4O6 and molecular weight 842.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Also Known As: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester), (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide, AMMONIUM, (4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(((2-CYANO-2-HYDROXYCYCLOHEXY, 2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N-{[2-(acetyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethylethanamidium) dibromide, RefChem:318894
| Molecular Formula | C40H52Br2N4O6 |
|---|---|
| Molecular Weight | 842.23 g/mol |
| LogP | -0.32 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 844.2233 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 28003-33-0 |
|---|---|
| SMILES | CC(=O)OC1(CCCCC1C[N+](C)(C)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C)C#N.[Br-].[Br-] |
| InChIKey | XMKHZBBXJIPYHO-UHFFFAOYSA-L |
Product Overview
RefChem:318894 (CAS 28003-33-0), with molecular formula C40H52Br2N4O6 and molecular weight 842.23 g/mol. IUPAC: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:318894
Property Insights of RefChem:318894
The XLogP value of -0.32 indicates that RefChem:318894 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318894. Following Lipinski's Rule of Five, RefChem:318894 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318894?
The CAS number of RefChem:318894 is 28003-33-0.
What is the molecular formula of RefChem:318894?
The molecular formula of RefChem:318894 is C40H52Br2N4O6.
What is the molecular weight of RefChem:318894?
The molecular weight of RefChem:318894 is 842.23 g/mol.
Where can I buy RefChem:318894?
You can request a quote for RefChem:318894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.