N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide
TL;DR: N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide (CAS 81253-94-3) is a chemical compound with molecular formula C34H50I2N4O4 and molecular weight 832.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[13-[5-[diethyl(methyl)azaniumyl]pentan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]pentyl-diethyl-methylazanium diiodide
Also Known As: N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide, Benzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium, N,N,N',N'-tetraethyl-1,3,6,8-tetraoxo-, diiodide, 4,4'-(1,3,6,8-Tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)bis(N,N-diethyl-N-methylpentan-1-aminium) diiodide
| Molecular Formula | C34H50I2N4O4 |
|---|---|
| Molecular Weight | 832.19 g/mol |
| LogP | -0.65 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 832.19214 |
| Heavy Atoms | 44 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 81253-94-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCCC(C)N1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)C(C)CCC[N+](C)(CC)CC)C1=O.[I-].[I-] |
| InChIKey | NXJPCXMRUGNNLX-UHFFFAOYSA-L |
Product Overview
N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide (CAS 81253-94-3), with molecular formula C34H50I2N4O4 and molecular weight 832.19 g/mol. IUPAC: 4-[13-[5-[diethyl(methyl)azaniumyl]pentan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]pentyl-diethyl-methylazanium diiodide.
Chemical Property Profile of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide
Property Insights of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide
The XLogP value of -0.65 indicates that N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide. Following Lipinski's Rule of Five, N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide 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 N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide?
The CAS number of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide is 81253-94-3.
What is the molecular formula of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide?
The molecular formula of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide is C34H50I2N4O4.
What is the molecular weight of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide?
The molecular weight of N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide is 832.19 g/mol.
Where can I buy N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide?
You can request a quote for N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide?
Yes, KEHONG BIO provides custom synthesis services for N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.