RefChem:318899
TL;DR: RefChem:318899 (CAS 58594-14-2) is a chemical compound with molecular formula C30H42Br2N2O4 and molecular weight 652.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[2-[dimethyl(4-oxopentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(4-oxopentyl)azanium dibromide
Also Known As: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide, (4,4'-Biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethylammonium) dibromide, 2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[N,N-dimethyl-N-(4-oxopentyl)ethanamidium] dibromide, [1,1'-Biphenyl]-4,4'-diethanaminium, N,N,N',N'-tetramethyl-.beta.,.beta.'-dioxo-N,N'-bis(4-oxopentyl)-, dibromide, [2-[4-[4-[2-[dimethyl(4-oxopentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(4-oxopentyl)azanium dibromide
| Molecular Formula | C30H42Br2N2O4 |
|---|---|
| Molecular Weight | 652.15 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 654.1491 |
| Heavy Atoms | 38 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 58594-14-2 |
|---|---|
| SMILES | CC(=O)CCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCCC(=O)C.[Br-].[Br-] |
| InChIKey | WQSWSJIXQGNBAB-UHFFFAOYSA-L |
Product Overview
RefChem:318899 (CAS 58594-14-2), with molecular formula C30H42Br2N2O4 and molecular weight 652.15 g/mol. IUPAC: [2-[4-[4-[2-[dimethyl(4-oxopentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(4-oxopentyl)azanium dibromide.
Chemical Property Profile of RefChem:318899
Property Insights of RefChem:318899
The XLogP value of -1.61 indicates that RefChem:318899 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318899. Following Lipinski's Rule of Five, RefChem:318899 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318899?
The CAS number of RefChem:318899 is 58594-14-2.
What is the molecular formula of RefChem:318899?
The molecular formula of RefChem:318899 is C30H42Br2N2O4.
What is the molecular weight of RefChem:318899?
The molecular weight of RefChem:318899 is 652.15 g/mol.
Where can I buy RefChem:318899?
You can request a quote for RefChem:318899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.