RefChem:95811
TL;DR: RefChem:95811 (CAS 68134-36-1) is a chemical compound with molecular formula C22H26Cl2N2O and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]ethanol chloride
Also Known As: 3H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride, 3H-Indolium, 5-chloro-2-[2-[4-[(2-hydroxyethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1), 1,3,3-Trimethyl-5-chloro-2-(2-(4-(N-methyl-N-beta-hydroxyethylamino)phenyl)vinyl)indolium chloride, 3H-Indolium, 5-chloro-2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride, 3H-Indolium, 5-chloro-2-(2-(4-((2-hydroxyethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)
| Molecular Formula | C22H26Cl2N2O |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1422 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 68134-36-1 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)Cl)[N+](=C1C=CC3=CC=C(C=C3)N(C)CCO)C)C.[Cl-] |
| InChIKey | XOUITCWYQKMKNU-UHFFFAOYSA-M |
Product Overview
RefChem:95811 (CAS 68134-36-1), with molecular formula C22H26Cl2N2O and molecular weight 404.14 g/mol. IUPAC: 2-[4-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-N-methylanilino]ethanol chloride.
Chemical Property Profile of RefChem:95811
Property Insights of RefChem:95811
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:95811. With a topological polar surface area (TPSA) of 26.5 Ų, RefChem:95811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95811 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:95811?
The CAS number of RefChem:95811 is 68134-36-1.
What is the molecular formula of RefChem:95811?
The molecular formula of RefChem:95811 is C22H26Cl2N2O.
What is the molecular weight of RefChem:95811?
The molecular weight of RefChem:95811 is 404.14 g/mol.
Where can I buy RefChem:95811?
You can request a quote for RefChem:95811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.