![3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) structure](/static/products/2179/2179-99-9.webp)
3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)
TL;DR: 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) (CAS 2179-99-9) is a chemical compound with molecular formula C51H50N6O11S2 and molecular weight 986.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate), Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate, 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide;4-methylbenzenesulfonate, RefChem:1097427
| Molecular Formula | C51H50N6O11S2 |
|---|---|
| Molecular Weight | 986.30 g/mol |
| LogP | 7.11744 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 986.2979 |
| Heavy Atoms | 70 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 2179-99-9 |
|---|---|
| SMILES | CC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | DPNMQCUEWSXHDH-UHFFFAOYSA-N |
Product Overview
3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) (CAS 2179-99-9), with molecular formula C51H50N6O11S2 and molecular weight 986.30 g/mol. IUPAC: 1-N,4-N-bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)
Property Insights of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)
The XLogP value of 7.11744 indicates that 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 265.0 Ų indicates high polarity, suggesting 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)?
The CAS number of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) is 2179-99-9.
What is the molecular formula of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)?
The molecular formula of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) is C51H50N6O11S2.
What is the molecular weight of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)?
The molecular weight of 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) is 986.30 g/mol.
Where can I buy 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)?
You can request a quote for 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-[(2-methoxybenzene-1,4-diyl)bis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-ethylpyridinium) bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.