RefChem:1097901
TL;DR: RefChem:1097901 (CAS 18520-35-9) is a chemical compound with molecular formula C44H40N4O8S2 and molecular weight 816.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide
Also Known As: Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-methyl-, ditosylate, Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl) cinnamamido)-, di-p-toluenesulfonate, 6,6'-(Styrene-alpha,p-diylbis(carbonylimino))bis(1-methylquinolinium) ditosylate, 4-methylbenzenesulfonate; N-(1-methylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide, RefChem:1097901
| Molecular Formula | C44H40N4O8S2 |
|---|---|
| Molecular Weight | 816.23 g/mol |
| LogP | 6.34444 |
| Topological Polar Surface Area | 180.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 816.22876 |
| Heavy Atoms | 58 |
| Complexity | 2771.0422 |
Chemical Identifiers
| CAS Number | 18520-35-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C |
Product Overview
RefChem:1097901 (CAS 18520-35-9), with molecular formula C44H40N4O8S2 and molecular weight 816.23 g/mol. IUPAC: bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide.
Chemical Property Profile of RefChem:1097901
Property Insights of RefChem:1097901
The XLogP value of 6.34444 indicates that RefChem:1097901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.36 Ų indicates high polarity, suggesting RefChem:1097901 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097901 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097901?
The CAS number of RefChem:1097901 is 18520-35-9.
What is the molecular formula of RefChem:1097901?
The molecular formula of RefChem:1097901 is C44H40N4O8S2.
What is the molecular weight of RefChem:1097901?
The molecular weight of RefChem:1097901 is 816.23 g/mol.
Where can I buy RefChem:1097901?
You can request a quote for RefChem:1097901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097901?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.