RefChem:117088
TL;DR: RefChem:117088 (CAS 32672-82-5) is a chemical compound with molecular formula C24H23BrClN3 and molecular weight 467.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride
Also Known As: 6-Bromo-1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride, 6-bromo-1- -2-[4- phenyl]benz[cd]indoliumchloride, 6-Bromo-1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)benz(cd)indolium chloride, Benz(cd)indolium, 6-bromo-1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride, Benz(cd)indolium, 6-bromo-1-(2-cyanoethyl)-2-(4-(diethylamino)phenyl)-, chloride (1:1)
| Molecular Formula | C24H23BrClN3 |
|---|---|
| Molecular Weight | 467.08 g/mol |
| LogP | 2.86118 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.0764 |
| Heavy Atoms | 29 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 32672-82-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Br)CCC#N.[Cl-] |
| InChIKey | SLLKGCJHIUTJGJ-UHFFFAOYSA-M |
Product Overview
RefChem:117088 (CAS 32672-82-5), with molecular formula C24H23BrClN3 and molecular weight 467.08 g/mol. IUPAC: 3-[6-bromo-2-[4-(diethylamino)phenyl]benzo[cd]indol-1-ium-1-yl]propanenitrile chloride.
Chemical Property Profile of RefChem:117088
Property Insights of RefChem:117088
The XLogP value of 2.86118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117088. With a topological polar surface area (TPSA) of 30.0 Ų, RefChem:117088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117088 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 RefChem:117088?
The CAS number of RefChem:117088 is 32672-82-5.
What is the molecular formula of RefChem:117088?
The molecular formula of RefChem:117088 is C24H23BrClN3.
What is the molecular weight of RefChem:117088?
The molecular weight of RefChem:117088 is 467.08 g/mol.
Where can I buy RefChem:117088?
You can request a quote for RefChem:117088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117088?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.