SN 8518
TL;DR: SN 8518 (CAS 81944-21-0) is a chemical compound with molecular formula C47H50N6O8S2+2 and molecular weight 890.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonic acid);N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N'-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]pentanediamide
Also Known As: SN 8518, Quinolinium, 1-methyl-4-((4-((5-((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)-1,5-dioxopentyl)amino)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2), 4-methylbenzenesulfonic acid; N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N'-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]pentanediamide
| Molecular Formula | C47H50N6O8S2+2 |
|---|---|
| Molecular Weight | 890.31 g/mol |
| LogP | 8.20694 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 890.3132 |
| Heavy Atoms | 63 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 81944-21-0 |
|---|---|
| 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)CCCC(=O)NC3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C |
| InChIKey | LCVVAXJXSOXMTG-UHFFFAOYSA-P |
Product Overview
SN 8518 (CAS 81944-21-0), with molecular formula C47H50N6O8S2+2 and molecular weight 890.31 g/mol. IUPAC: bis(4-methylbenzenesulfonic acid);N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-N'-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]pentanediamide.
Chemical Property Profile of SN 8518
Property Insights of SN 8518
The XLogP value of 8.20694 indicates that SN 8518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting SN 8518 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SN 8518 has 6 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 SN 8518?
The CAS number of SN 8518 is 81944-21-0.
What is the molecular formula of SN 8518?
The molecular formula of SN 8518 is C47H50N6O8S2+2.
What is the molecular weight of SN 8518?
The molecular weight of SN 8518 is 890.31 g/mol.
Where can I buy SN 8518?
You can request a quote for SN 8518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SN 8518?
Yes, KEHONG BIO provides custom synthesis services for SN 8518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.