Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)
TL;DR: Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) (CAS 32681-92-8) is a chemical compound with molecular formula C24H24ClN3 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride
Also Known As: 1-(2-Cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride, 1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benzo[cd]indolium chloride, Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride, 1-(2-Cyanoethyl)-2-(4-(diethylamino)phenyl)benz(cd)indolium chloride, 1-(beta-Cyanoethyl)-2-(4-(N,N-diethylamino)phenyl)-1-azaacenaphthenium chloride
| Molecular Formula | C24H24ClN3 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 2.09868 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.16586 |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 32681-92-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=CC=CC4=C3C2=CC=C4)CCC#N.[Cl-] |
| InChIKey | NDHHQVODEQNJBL-UHFFFAOYSA-M |
Product Overview
Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) (CAS 32681-92-8), with molecular formula C24H24ClN3 and molecular weight 389.17 g/mol. IUPAC: 3-[2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride.
Chemical Property Profile of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)
Property Insights of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)
The XLogP value of 2.09868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1). With a topological polar surface area (TPSA) of 30.0 Ų, Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) has 0 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 Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)?
The CAS number of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) is 32681-92-8.
What is the molecular formula of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)?
The molecular formula of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) is C24H24ClN3.
What is the molecular weight of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)?
The molecular weight of Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) is 389.17 g/mol.
Where can I buy Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)?
You can request a quote for Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benz(cd)indolium, 1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.