RefChem:1097898
TL;DR: RefChem:1097898 (CAS 68772-19-0) is a chemical compound with molecular formula C31H29Br2N5O and molecular weight 645.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide
Also Known As: Quinolinium, 1-methyl-4-((4-(3-((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)3-oxo-1-propenyl)phenyl)amino)-, dibromide, (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide, RefChem:1097898
| Molecular Formula | C31H29Br2N5O |
|---|---|
| Molecular Weight | 645.07 g/mol |
| LogP | -0.3641 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 645.0739 |
| Heavy Atoms | 39 |
| Complexity | 1568.5804 |
Chemical Identifiers
| CAS Number | 68772-19-0 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C.[Br-].[Br-] |
Product Overview
RefChem:1097898 (CAS 68772-19-0), with molecular formula C31H29Br2N5O and molecular weight 645.07 g/mol. IUPAC: (E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide dibromide.
Chemical Property Profile of RefChem:1097898
Property Insights of RefChem:1097898
The XLogP value of -0.3641 indicates that RefChem:1097898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097898. Following Lipinski's Rule of Five, RefChem:1097898 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097898?
The CAS number of RefChem:1097898 is 68772-19-0.
What is the molecular formula of RefChem:1097898?
The molecular formula of RefChem:1097898 is C31H29Br2N5O.
What is the molecular weight of RefChem:1097898?
The molecular weight of RefChem:1097898 is 645.07 g/mol.
Where can I buy RefChem:1097898?
You can request a quote for RefChem:1097898 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097898?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.