RefChem:319123
TL;DR: RefChem:319123 (CAS 28043-31-4) is a chemical compound with molecular formula C34H48Br2N4O6 and molecular weight 766.19 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-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Also Known As: Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester), (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide, 2,2'-(1,4-Phenylene)bis(N-{[2-(acetyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide, RefChem:319123
| Molecular Formula | C34H48Br2N4O6 |
|---|---|
| Molecular Weight | 766.19 g/mol |
| LogP | -1.76 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 768.192 |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 28043-31-4 |
|---|---|
| SMILES | CC(=O)OC1(CCCCC1C[N+](C)(C)CC(=O)C2=CC=C(C=C2)C(=O)C[N+](C)(C)CC3CCCCC3(C#N)OC(=O)C)C#N.[Br-].[Br-] |
| InChIKey | QHDWPDCIYHAOJC-UHFFFAOYSA-L |
Product Overview
RefChem:319123 (CAS 28043-31-4), with molecular formula C34H48Br2N4O6 and molecular weight 766.19 g/mol. IUPAC: (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319123
Property Insights of RefChem:319123
The XLogP value of -1.76 indicates that RefChem:319123 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:319123. Following Lipinski's Rule of Five, RefChem:319123 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:319123?
The CAS number of RefChem:319123 is 28043-31-4.
What is the molecular formula of RefChem:319123?
The molecular formula of RefChem:319123 is C34H48Br2N4O6.
What is the molecular weight of RefChem:319123?
The molecular weight of RefChem:319123 is 766.19 g/mol.
Where can I buy RefChem:319123?
You can request a quote for RefChem:319123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319123?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.