RefChem:318897
TL;DR: RefChem:318897 (CAS 66855-79-6) is a chemical compound with molecular formula C30H46Br2N2O2 and molecular weight 624.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[4-[2-[dimethyl(pentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-pentylazanium dibromide
Also Known As: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide, (4,4'-Biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethylammonium) dibromide, 2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N,N-dimethyl-N-pentylethanamidium) dibromide, [1,1'-Biphenyl]-4,4'-diethanaminium, N,N,N',N'-tetramethyl-.beta.,.beta.'-dioxo-N,N'-dipentyl-, dibromide, [2-[4-[4-[2-[dimethyl(pentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-pentylazanium dibromide
| Molecular Formula | C30H46Br2N2O2 |
|---|---|
| Molecular Weight | 624.19 g/mol |
| LogP | 0.03 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 626.19055 |
| Heavy Atoms | 36 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 66855-79-6 |
|---|---|
| SMILES | CCCCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCCCC.[Br-].[Br-] |
| InChIKey | KJSCFPLSNZYFRI-UHFFFAOYSA-L |
Product Overview
RefChem:318897 (CAS 66855-79-6), with molecular formula C30H46Br2N2O2 and molecular weight 624.19 g/mol. IUPAC: [2-[4-[4-[2-[dimethyl(pentyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-pentylazanium dibromide.
Chemical Property Profile of RefChem:318897
Property Insights of RefChem:318897
The XLogP value of 0.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318897. With a topological polar surface area (TPSA) of 34.1 Ų, RefChem:318897 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318897 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318897?
The CAS number of RefChem:318897 is 66855-79-6.
What is the molecular formula of RefChem:318897?
The molecular formula of RefChem:318897 is C30H46Br2N2O2.
What is the molecular weight of RefChem:318897?
The molecular weight of RefChem:318897 is 624.19 g/mol.
Where can I buy RefChem:318897?
You can request a quote for RefChem:318897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318897?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.