RefChem:117083
TL;DR: RefChem:117083 (CAS 68134-32-7) is a chemical compound with molecular formula C26H28ClN3O and molecular weight 433.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[2-ethoxyethyl(ethyl)amino]phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride
Also Known As: 1-(2-Cyanoethyl)-2-[4-[(2-ethoxyethyl)ethylamino]phenyl]benz[cd]indolium chloride, 1-(2-cyanoethyl)-2-{4-[(2-ethoxyethyl)(ethyl)amino]phenyl}benzo[cd]indolium chloride, Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-((2-ethoxyethyl)ethylamino)phenyl)-, chloride, Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-((2-ethoxyethyl)ethylamino)phenyl)-, chloride (1:1), 1-(beta-Cyanoethyl)-2-(4-(N-ethyl-N-(beta-ethoxyethyl)amino)phenyl)-1-azaacenaphthenium chloride
| Molecular Formula | C26H28ClN3O |
|---|---|
| Molecular Weight | 433.19 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 39.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.19208 |
| Heavy Atoms | 31 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 68134-32-7 |
|---|---|
| SMILES | CCN(CCOCC)C1=CC=C(C=C1)C2=[N+](C3=CC=CC4=C3C2=CC=C4)CCC#N.[Cl-] |
| InChIKey | WSTUXINPHUICKM-UHFFFAOYSA-M |
Product Overview
RefChem:117083 (CAS 68134-32-7), with molecular formula C26H28ClN3O and molecular weight 433.19 g/mol. IUPAC: 3-[2-[4-[2-ethoxyethyl(ethyl)amino]phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride.
Chemical Property Profile of RefChem:117083
Property Insights of RefChem:117083
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117083. With a topological polar surface area (TPSA) of 39.3 Ų, RefChem:117083 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117083 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:117083?
The CAS number of RefChem:117083 is 68134-32-7.
What is the molecular formula of RefChem:117083?
The molecular formula of RefChem:117083 is C26H28ClN3O.
What is the molecular weight of RefChem:117083?
The molecular weight of RefChem:117083 is 433.19 g/mol.
Where can I buy RefChem:117083?
You can request a quote for RefChem:117083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.