RefChem:377159
TL;DR: RefChem:377159 (CAS 16758-31-9) is a chemical compound with molecular formula C48H44N6O10S2 and molecular weight 928.26 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-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate, 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-[1,4-Phenylenebis(carbonylazanediyl-4,1-phenylenecarbonylazanediyl)]bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), Pyridinium, 3,3'-[1,4-phenylenebis(carbonylimino-4,1-phenylenecarbonylimino)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2), RefChem:377159
| Molecular Formula | C48H44N6O10S2 |
|---|---|
| Molecular Weight | 928.26 g/mol |
| LogP | 6.14304 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 928.25604 |
| Heavy Atoms | 66 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 16758-31-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[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)C |
| InChIKey | NRNIPYGUEMLNRX-UHFFFAOYSA-N |
Product Overview
RefChem:377159 (CAS 16758-31-9), with molecular formula C48H44N6O10S2 and molecular weight 928.26 g/mol. IUPAC: 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:377159
Property Insights of RefChem:377159
The XLogP value of 6.14304 indicates that RefChem:377159 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting RefChem:377159 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377159 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 RefChem:377159?
The CAS number of RefChem:377159 is 16758-31-9.
What is the molecular formula of RefChem:377159?
The molecular formula of RefChem:377159 is C48H44N6O10S2.
What is the molecular weight of RefChem:377159?
The molecular weight of RefChem:377159 is 928.26 g/mol.
Where can I buy RefChem:377159?
You can request a quote for RefChem:377159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.