RefChem:1097385
TL;DR: RefChem:1097385 (CAS 19060-44-7) is a chemical compound with molecular formula C54H54N6O10S2 and molecular weight 1010.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]anilino]prop-1-enyl]-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide
Also Known As: Pyridinium, 1-propyl-3-(p-(p-((p-((1-propylpyridinum-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate, 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]anilino]prop-1-enyl]-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide, RefChem:1097385
| Molecular Formula | C54H54N6O10S2 |
|---|---|
| Molecular Weight | 1010.33 g/mol |
| LogP | 8.28864 |
| Topological Polar Surface Area | 238.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 1010.3343 |
| Heavy Atoms | 72 |
| Complexity | 3148.118 |
Chemical Identifiers
| CAS Number | 19060-44-7 |
|---|---|
| SMILES | CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097385 (CAS 19060-44-7), with molecular formula C54H54N6O10S2 and molecular weight 1010.33 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]anilino]prop-1-enyl]-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzamide.
Chemical Property Profile of RefChem:1097385
Property Insights of RefChem:1097385
The XLogP value of 8.28864 indicates that RefChem:1097385 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.56 Ų indicates high polarity, suggesting RefChem:1097385 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097385 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:1097385?
The CAS number of RefChem:1097385 is 19060-44-7.
What is the molecular formula of RefChem:1097385?
The molecular formula of RefChem:1097385 is C54H54N6O10S2.
What is the molecular weight of RefChem:1097385?
The molecular weight of RefChem:1097385 is 1010.33 g/mol.
Where can I buy RefChem:1097385?
You can request a quote for RefChem:1097385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097385?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.