RefChem:117092
TL;DR: RefChem:117092 (CAS 92952-73-3) is a chemical compound with molecular formula C24H25ClN2O3 and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-chloro-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol acetate
Also Known As: 6-Chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methylbenz(cd)indolium acetate, 6-chloro-2-[4-[ethyl amino]phenyl]-1-methylbenz[cd]indoliumacetate, Benz(cd)indolium, 6-chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, acetate (1:1), 6-Chloro-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methylbenzo[cd]indol-1-ium acetate, 6-Chloro-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate
| Molecular Formula | C24H25ClN2O3 |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 3.1928 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.15536 |
| Heavy Atoms | 30 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 92952-73-3 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Cl)C.CC(=O)[O-] |
| InChIKey | GIAXHZDAQMKKKP-UHFFFAOYSA-M |
Product Overview
RefChem:117092 (CAS 92952-73-3), with molecular formula C24H25ClN2O3 and molecular weight 424.16 g/mol. IUPAC: 2-[4-(6-chloro-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol acetate.
Chemical Property Profile of RefChem:117092
Property Insights of RefChem:117092
The XLogP value of 3.1928 indicates that RefChem:117092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117092. Following Lipinski's Rule of Five, RefChem:117092 has 1 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:117092?
The CAS number of RefChem:117092 is 92952-73-3.
What is the molecular formula of RefChem:117092?
The molecular formula of RefChem:117092 is C24H25ClN2O3.
What is the molecular weight of RefChem:117092?
The molecular weight of RefChem:117092 is 424.16 g/mol.
Where can I buy RefChem:117092?
You can request a quote for RefChem:117092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117092?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.