RefChem:1076817
TL;DR: RefChem:1076817 (CAS 73680-60-1) is a chemical compound with molecular formula C28H54Br2N4O2 and molecular weight 636.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium dibromide
Also Known As: Ammonium, (p-benzoquinon-2,5-ylenebis(iminotrimethylene))bis(butyldiethyl-, dibromide, Benzoquinone, 2,5-bis(3-diethylaminopropylamino), bis-butobromide, Ammonium, [p-benzoquinon-2,5-ylenebis(iminotrimethylene)]bis, 1-Butanaminium, N,N'-((3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl))bis(N,N-diethyl-, dibromide, 1-Butanaminium, N,N'-[(3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis(imino-3,1-propanediyl)]bis[N,N-diethyl-, dibromide
| Molecular Formula | C28H54Br2N4O2 |
|---|---|
| Molecular Weight | 636.26 g/mol |
| LogP | -1.81 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 638.2593 |
| Heavy Atoms | 36 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 73680-60-1 |
|---|---|
| SMILES | CCCC[N+](CC)(CC)CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CCCC.[Br-].[Br-] |
| InChIKey | BBUPIQNENPAKLY-UHFFFAOYSA-N |
Product Overview
RefChem:1076817 (CAS 73680-60-1), with molecular formula C28H54Br2N4O2 and molecular weight 636.26 g/mol. IUPAC: butyl-[3-[[4-[3-[butyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium dibromide.
Chemical Property Profile of RefChem:1076817
Property Insights of RefChem:1076817
The XLogP value of -1.81 indicates that RefChem:1076817 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:1076817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076817 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:1076817?
The CAS number of RefChem:1076817 is 73680-60-1.
What is the molecular formula of RefChem:1076817?
The molecular formula of RefChem:1076817 is C28H54Br2N4O2.
What is the molecular weight of RefChem:1076817?
The molecular weight of RefChem:1076817 is 636.26 g/mol.
Where can I buy RefChem:1076817?
You can request a quote for RefChem:1076817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.