RefChem:1097367
TL;DR: RefChem:1097367 (CAS 20719-23-7) is a chemical compound with molecular formula C50H50N6O8S2 and molecular weight 926.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 1-ethyl-4-(p-(p-((p-((1-ethylpyridinium-4-yl)amino)phenyl)carbamoyl)cinnamamido)anilino)-, di-p-toluenesulfonate, 4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate, RefChem:1097367
| Molecular Formula | C50H50N6O8S2 |
|---|---|
| Molecular Weight | 926.31 g/mol |
| LogP | 8.49104 |
| Topological Polar Surface Area | 204.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 926.3132 |
| Heavy Atoms | 66 |
| Complexity | 2857.2864 |
Chemical Identifiers
| CAS Number | 20719-23-7 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097367 (CAS 20719-23-7), with molecular formula C50H50N6O8S2 and molecular weight 926.31 g/mol. IUPAC: 4-[(E)-3-[4-[(1-ethylpyridin-1-ium-4-yl)amino]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:1097367
Property Insights of RefChem:1097367
The XLogP value of 8.49104 indicates that RefChem:1097367 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.42 Ų indicates high polarity, suggesting RefChem:1097367 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097367 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:1097367?
The CAS number of RefChem:1097367 is 20719-23-7.
What is the molecular formula of RefChem:1097367?
The molecular formula of RefChem:1097367 is C50H50N6O8S2.
What is the molecular weight of RefChem:1097367?
The molecular weight of RefChem:1097367 is 926.31 g/mol.
Where can I buy RefChem:1097367?
You can request a quote for RefChem:1097367 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097367?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097367 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.