![4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- structure](/static/products/2030/20302-25-4.webp)
4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-
TL;DR: 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- (CAS 20302-25-4) is a chemical compound with molecular formula C50H48N4O8S2 and molecular weight 896.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-
| Molecular Formula | C50H48N4O8S2 |
|---|---|
| Molecular Weight | 896.29 g/mol |
| LogP | 8.33784 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 896.2914 |
| Heavy Atoms | 64 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 20302-25-4 |
|---|---|
| SMILES | CC[N+]1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | FNNVPRXVWBTQCQ-UHFFFAOYSA-N |
Product Overview
4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- (CAS 20302-25-4), with molecular formula C50H48N4O8S2 and molecular weight 896.29 g/mol. IUPAC: 4-[3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-
Property Insights of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-
The XLogP value of 8.33784 indicates that 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-?
The CAS number of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- is 20302-25-4.
What is the molecular formula of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-?
The molecular formula of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- is C50H48N4O8S2.
What is the molecular weight of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-?
The molecular weight of 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- is 896.29 g/mol.
Where can I buy 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-?
You can request a quote for 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.