RefChem:95761
TL;DR: RefChem:95761 (CAS 65122-07-8) is a chemical compound with molecular formula C21H26ClN3O and molecular weight 371.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride
Also Known As: 3H-Indolium, 2-[[(4-ethoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-(((4-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-(((p-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, chloride, 3H-Indolium, 2-((2-(4-ethoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, chloride (1:1), 3H-Indolium, 2-[[2-(4-ethoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, chloride (1:1)
| Molecular Formula | C21H26ClN3O |
|---|---|
| Molecular Weight | 371.18 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.17645 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 65122-07-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-] |
| InChIKey | YQEHTJMAFVYLDM-UHFFFAOYSA-M |
Product Overview
RefChem:95761 (CAS 65122-07-8), with molecular formula C21H26ClN3O and molecular weight 371.18 g/mol. IUPAC: 4-ethoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline chloride.
Chemical Property Profile of RefChem:95761
Property Insights of RefChem:95761
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:95761. With a topological polar surface area (TPSA) of 27.8 Ų, RefChem:95761 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95761 has 0 hydrogen bond donor(s) and 4 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:95761?
The CAS number of RefChem:95761 is 65122-07-8.
What is the molecular formula of RefChem:95761?
The molecular formula of RefChem:95761 is C21H26ClN3O.
What is the molecular weight of RefChem:95761?
The molecular weight of RefChem:95761 is 371.18 g/mol.
Where can I buy RefChem:95761?
You can request a quote for RefChem:95761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.