RefChem:1097899
TL;DR: RefChem:1097899 (CAS 68772-18-9) is a chemical compound with molecular formula C30H28Br2N4 and molecular weight 602.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine dibromide
Also Known As: Quinolinium, 1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)styryl)anilino)-, dibromide, 1-Methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)styryl)anilino)quinolium dibromide, 1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine dibromide, RefChem:1097899
| Molecular Formula | C30H28Br2N4 |
|---|---|
| Molecular Weight | 602.07 g/mol |
| LogP | 0.1544 |
| Topological Polar Surface Area | 31.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 602.06805 |
| Heavy Atoms | 36 |
| Complexity | 1446.1056 |
Chemical Identifiers
| CAS Number | 68772-18-9 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C.[Br-].[Br-] |
Product Overview
RefChem:1097899 (CAS 68772-18-9), with molecular formula C30H28Br2N4 and molecular weight 602.07 g/mol. IUPAC: 1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine dibromide.
Chemical Property Profile of RefChem:1097899
Property Insights of RefChem:1097899
The XLogP value of 0.1544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097899. With a topological polar surface area (TPSA) of 31.82 Ų, RefChem:1097899 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1097899 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1097899?
The CAS number of RefChem:1097899 is 68772-18-9.
What is the molecular formula of RefChem:1097899?
The molecular formula of RefChem:1097899 is C30H28Br2N4.
What is the molecular weight of RefChem:1097899?
The molecular weight of RefChem:1097899 is 602.07 g/mol.
Where can I buy RefChem:1097899?
You can request a quote for RefChem:1097899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.