RefChem:319124
TL;DR: RefChem:319124 (CAS 28003-38-5) is a chemical compound with molecular formula C44H52Br2N4O6 and molecular weight 890.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Also Known As: Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate (ester), (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide, AMMONIUM, (TEREPHTHALOYLDIMETHYLENE)BIS(((2-CYANO-2-HYDROXYCYCLOHEXYL)METHYL)DIM, 2,2'-(1,4-Phenylene)bis(N-{[2-(benzoyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide, RefChem:319124
| Molecular Formula | C44H52Br2N4O6 |
|---|---|
| Molecular Weight | 890.23 g/mol |
| LogP | 0.83 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 892.2233 |
| Heavy Atoms | 56 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 28003-38-5 |
|---|---|
| SMILES | C[N+](C)(CC1CCCCC1(C#N)OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4(C#N)OC(=O)C5=CC=CC=C5.[Br-].[Br-] |
| InChIKey | YODOGGJDIBQVJZ-UHFFFAOYSA-L |
Product Overview
RefChem:319124 (CAS 28003-38-5), with molecular formula C44H52Br2N4O6 and molecular weight 890.23 g/mol. IUPAC: (2-benzoyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319124
Property Insights of RefChem:319124
The XLogP value of 0.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319124. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319124. Following Lipinski's Rule of Five, RefChem:319124 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:319124?
The CAS number of RefChem:319124 is 28003-38-5.
What is the molecular formula of RefChem:319124?
The molecular formula of RefChem:319124 is C44H52Br2N4O6.
What is the molecular weight of RefChem:319124?
The molecular weight of RefChem:319124 is 890.23 g/mol.
Where can I buy RefChem:319124?
You can request a quote for RefChem:319124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.