RefChem:378750
TL;DR: RefChem:378750 (CAS 18430-44-9) is a chemical compound with molecular formula C49H45N5O9S2+2 and molecular weight 911.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonic acid);4-N-(1-methylquinolin-1-ium-7-yl)-1-N-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Also Known As: Quinolinium, 1-methyl-7-(p-(p-((1-methylquinolinium-7-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate, 4-methylbenzenesulfonic acid; 4-N-(1-methylquinolin-1-ium-7-yl)-1-N-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide, Quinolinium, 1-methyl-7-[[4-[[4-[[(1-methylquinolinium-7-yl)amino]carbonyl]benzoyl]amino]benzoyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2), RefChem:378750
| Molecular Formula | C49H45N5O9S2+2 |
|---|---|
| Molecular Weight | 911.27 g/mol |
| LogP | 7.88234 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 911.26587 |
| Heavy Atoms | 65 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 18430-44-9 |
|---|---|
| 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=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6C)C=C5 |
| InChIKey | GYZCNPKCSKAOLS-UHFFFAOYSA-P |
Product Overview
RefChem:378750 (CAS 18430-44-9), with molecular formula C49H45N5O9S2+2 and molecular weight 911.27 g/mol. IUPAC: bis(4-methylbenzenesulfonic acid);4-N-(1-methylquinolin-1-ium-7-yl)-1-N-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide.
Chemical Property Profile of RefChem:378750
Property Insights of RefChem:378750
The XLogP value of 7.88234 indicates that RefChem:378750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:378750 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378750 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378750?
The CAS number of RefChem:378750 is 18430-44-9.
What is the molecular formula of RefChem:378750?
The molecular formula of RefChem:378750 is C49H45N5O9S2+2.
What is the molecular weight of RefChem:378750?
The molecular weight of RefChem:378750 is 911.27 g/mol.
Where can I buy RefChem:378750?
You can request a quote for RefChem:378750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.