RefChem:319127
TL;DR: RefChem:319127 (CAS 28003-39-6) is a chemical compound with molecular formula C42H54Br2N2O6 and molecular weight 840.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Also Known As: Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate, (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide, AMMONIUM, (TEREPHTHALOYLDIMETHYLENE)BIS(((2-HYDROXYCYCLOHEXYL)METHYL)DIMETHYL-,, 2,2'-(1,4-Phenylene)bis(N-{[2-(benzoyloxy)cyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide, RefChem:319127
| Molecular Formula | C42H54Br2N2O6 |
|---|---|
| Molecular Weight | 840.23 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 842.2328 |
| Heavy Atoms | 52 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 28003-39-6 |
|---|---|
| SMILES | C[N+](C)(CC1CCCCC1OC(=O)C2=CC=CC=C2)CC(=O)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4CCCCC4OC(=O)C5=CC=CC=C5.[Br-].[Br-] |
| InChIKey | JCHYTYQXSITIFH-UHFFFAOYSA-L |
Product Overview
RefChem:319127 (CAS 28003-39-6), with molecular formula C42H54Br2N2O6 and molecular weight 840.23 g/mol. IUPAC: (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319127
Property Insights of RefChem:319127
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319127. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319127. Following Lipinski's Rule of Five, RefChem:319127 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319127?
The CAS number of RefChem:319127 is 28003-39-6.
What is the molecular formula of RefChem:319127?
The molecular formula of RefChem:319127 is C42H54Br2N2O6.
What is the molecular weight of RefChem:319127?
The molecular weight of RefChem:319127 is 840.23 g/mol.
Where can I buy RefChem:319127?
You can request a quote for RefChem:319127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319127?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.