RefChem:377148
TL;DR: RefChem:377148 (CAS 21863-91-2) is a chemical compound with molecular formula C50H48N6O12S2 and molecular weight 988.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[3-methoxy-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino(2-methoxy-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate, 3,3'-{benzene-1,4-diylbis[carbonylimino(2-methoxybenzene-4,1-diyl)carbonylimino]}bis(1-methylpyridinium) bis(4-methylbenzenesulfonate), 1-N,4-N-bis[3-methoxy-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-{1,4-Phenylenebis[carbonylazanediyl(2-methoxy-4,1-phenylene)carbonylazanediyl]}bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377148
| Molecular Formula | C50H48N6O12S2 |
|---|---|
| Molecular Weight | 988.28 g/mol |
| LogP | 6.16024 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 988.27716 |
| Heavy Atoms | 70 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 21863-91-2 |
|---|---|
| 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=C(C=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)OC)OC |
| InChIKey | KVIFFZQKJAJOQB-UHFFFAOYSA-N |
Product Overview
RefChem:377148 (CAS 21863-91-2), with molecular formula C50H48N6O12S2 and molecular weight 988.28 g/mol. IUPAC: 1-N,4-N-bis[3-methoxy-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:377148
Property Insights of RefChem:377148
The XLogP value of 6.16024 indicates that RefChem:377148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 274.0 Ų indicates high polarity, suggesting RefChem:377148 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377148 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:377148?
The CAS number of RefChem:377148 is 21863-91-2.
What is the molecular formula of RefChem:377148?
The molecular formula of RefChem:377148 is C50H48N6O12S2.
What is the molecular weight of RefChem:377148?
The molecular weight of RefChem:377148 is 988.28 g/mol.
Where can I buy RefChem:377148?
You can request a quote for RefChem:377148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377148?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.