RefChem:1076818
TL;DR: RefChem:1076818 (CAS 2258-02-8) is a chemical compound with molecular formula C22H42Br2N4O2 and molecular weight 552.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[3-[diethyl(methyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl-diethyl-methylazanium dibromide
Also Known As: NIOSH/BS4160000, Ammonium, (p-benzoquinon-2,5-ylenebis(iminotrimethylene))bis(diethylmethyl-, dibromide, Benzoquinone, 2,5-bis(diethylaminopropylamino), bis-methobromide, (p-Quinon-2,5-ylenebis(iminotrimethylene))bis(diethylmethylammonium bromide), 3-[[4-[3-[diethyl(methyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl-diethyl-methylazanium dibromide
| Molecular Formula | C22H42Br2N4O2 |
|---|---|
| Molecular Weight | 552.17 g/mol |
| LogP | -4.15 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 554.1654 |
| Heavy Atoms | 30 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 2258-02-8 |
|---|---|
| SMILES | CC[N+](C)(CC)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](C)(CC)CC.[Br-].[Br-] |
| InChIKey | JDXMEIZJSUCGOZ-UHFFFAOYSA-N |
Product Overview
RefChem:1076818 (CAS 2258-02-8), with molecular formula C22H42Br2N4O2 and molecular weight 552.17 g/mol. IUPAC: 3-[[4-[3-[diethyl(methyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl-diethyl-methylazanium dibromide.
Chemical Property Profile of RefChem:1076818
Property Insights of RefChem:1076818
The XLogP value of -4.15 indicates that RefChem:1076818 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:1076818 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076818 has 2 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:1076818?
The CAS number of RefChem:1076818 is 2258-02-8.
What is the molecular formula of RefChem:1076818?
The molecular formula of RefChem:1076818 is C22H42Br2N4O2.
What is the molecular weight of RefChem:1076818?
The molecular weight of RefChem:1076818 is 552.17 g/mol.
Where can I buy RefChem:1076818?
You can request a quote for RefChem:1076818 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076818?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076818 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.