4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide
TL;DR: 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide (CAS 123489-69-0) is a chemical compound with molecular formula C30H42Br2N2O6 and molecular weight 684.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Also Known As: 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide, 1,3-Dioxane-2-methanaminium, N,N'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(N,N-dimethyl-, dibromide, 1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium;dibromide, N,N/'-((1,1/'-Biphenyl)-4,4/'-diylbis(2-oxo-2,1-ethanediyl))bis(N,N-dimethyl-1,3-dioxane-2-methanami, 1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
| Molecular Formula | C30H42Br2N2O6 |
|---|---|
| Molecular Weight | 684.14 g/mol |
| LogP | -2.5942 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 684.1409 |
| Heavy Atoms | 40 |
| Complexity | 992.8827 |
Chemical Identifiers
| CAS Number | 123489-69-0 |
|---|---|
| SMILES | C[N+](C)(CC1OCCCO1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+](C)(C)CC4OCCCO4.[Br-].[Br-] |
Product Overview
4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide (CAS 123489-69-0), with molecular formula C30H42Br2N2O6 and molecular weight 684.14 g/mol. IUPAC: 1,3-dioxan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide.
Chemical Property Profile of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide
Property Insights of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide
The XLogP value of -2.5942 indicates that 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide. Following Lipinski's Rule of Five, 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide 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 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide?
The CAS number of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide is 123489-69-0.
What is the molecular formula of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide?
The molecular formula of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide is C30H42Br2N2O6.
What is the molecular weight of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide?
The molecular weight of 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide is 684.14 g/mol.
Where can I buy 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide?
You can request a quote for 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.