RefChem:505698
TL;DR: RefChem:505698 (CAS 25717-55-9) is a chemical compound with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
Also Known As: 2-(2-p-Anisidinovinyl)-1,3,3-trimethyl-3H-indolium chloride, 2-(2-p-anisidinovinyl)-1,3,3-trimethyl-3h-indoliumchloride, 2-(2-(p-Anisidino)vinyl)-1,3,3-trimethyl-3H-indolium, chloride, 3H-Indolium, 2-[2-[(4-methoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-[2-[(4-methoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, chloride (1:1)
| Molecular Formula | C20H23ClN2O |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 1.33 |
| Topological Polar Surface Area | 24.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1499 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 25717-55-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CNC3=CC=C(C=C3)OC)C)C.[Cl-] |
| InChIKey | OXPKRRHGPFICAE-UHFFFAOYSA-N |
Product Overview
RefChem:505698 (CAS 25717-55-9), with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol. IUPAC: 4-methoxy-N-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride.
Chemical Property Profile of RefChem:505698
Property Insights of RefChem:505698
The XLogP value of 1.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505698. With a topological polar surface area (TPSA) of 24.3 Ų, RefChem:505698 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:505698 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505698?
The CAS number of RefChem:505698 is 25717-55-9.
What is the molecular formula of RefChem:505698?
The molecular formula of RefChem:505698 is C20H23ClN2O.
What is the molecular weight of RefChem:505698?
The molecular weight of RefChem:505698 is 342.15 g/mol.
Where can I buy RefChem:505698?
You can request a quote for RefChem:505698 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505698?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.