4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium
TL;DR: 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium (CAS 20719-22-6) is a chemical compound with molecular formula C48H46N6O8S2 and molecular weight 898.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[3-[4-[(1-methylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
Also Known As: 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium, 1-Methyl-4-{4-[4-(3-{4-[(1-methylpyridin-1-ium-4-yl)amino]anilino}-3-oxoprop-1-en-1-yl)benzamido]anilino}pyridin-1-ium bis(4-methylbenzene-1-sulfonate), Pyridinium, 1-methyl-4-[[4-[[3-[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]phenyl]-1-oxo-2-propenyl]amino]phenyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2)
| Molecular Formula | C48H46N6O8S2 |
|---|---|
| Molecular Weight | 898.28 g/mol |
| LogP | 7.52524 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 898.28186 |
| Heavy Atoms | 64 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 20719-22-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C |
| InChIKey | PYALERXGMWPUES-UHFFFAOYSA-N |
Product Overview
4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium (CAS 20719-22-6), with molecular formula C48H46N6O8S2 and molecular weight 898.28 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[3-[4-[(1-methylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide.
Chemical Property Profile of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium
Property Insights of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium
The XLogP value of 7.52524 indicates that 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium?
The CAS number of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium is 20719-22-6.
What is the molecular formula of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium?
The molecular formula of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium is C48H46N6O8S2.
What is the molecular weight of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium?
The molecular weight of 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium is 898.28 g/mol.
Where can I buy 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium?
You can request a quote for 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-methylbenzenesulfonate,4-[(E)-3-[4-[(1-methylpyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.