RefChem:95770
TL;DR: RefChem:95770 (CAS 59737-31-4) is a chemical compound with molecular formula C21H26N2O6S and molecular weight 434.15115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;hydrogen sulfate
Also Known As: 3H-Indolium, 2-(2-((2,4-dimethoxyphenyl)amino)ethenyl)-1,3,3-trimethyl-, sulfate (1:1), (5-Chlor-1,3,3-trimethyl-indolin-2-yliden)-acetaldehyd, 3H-Indolium, 2-[2-[(2,4-dimethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, sulfate (1:1), 2-[2-[(2,4-dimethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate, 2,4-dimethoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline,hydrogen sulfate
Technical Specifications
| Molecular Formula | C21H26N2O6S |
| Molecular Weight | 434.15115 g/mol |
| XLogP | 3.34 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.15115 Da |
| Heavy Atoms | 30 |
| Complexity | 602.0 |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CNC3=C(C=C(C=C3)OC)OC)C)C.OS(=O)(=O)[O-] |
| InChIKey | JNVSQOYUWYHNAK-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:95770
Property Insights of RefChem:95770
The XLogP value of 3.34 indicates that RefChem:95770 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95770. Following Lipinski's Rule of Five, RefChem:95770 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:95770?
The CAS number of RefChem:95770 is 59737-31-4.
What is the molecular formula of RefChem:95770?
The molecular formula of RefChem:95770 is C21H26N2O6S.
What is the molecular weight of RefChem:95770?
The molecular weight of RefChem:95770 is 434.15115 g/mol.
Where can I buy RefChem:95770?
You can request a quote for RefChem:95770 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:95770?
Yes, CoreyChem provides custom synthesis services for RefChem:95770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.