RefChem:561291
TL;DR: RefChem:561291 (CAS 58441-54-6) is a chemical compound with molecular formula C22H22BrClN2O and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(6-bromo-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol chloride
Also Known As: EINECS 261-254-8, 6-Bromo-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methylbenz(cd)indolium chloride, 6-bromo-2-[4-[ethyl amino]phenyl]-1-methylbenz[cd]indoliumchloride, Benz(cd)indolium, 6-bromo-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, chloride, 6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium chloride
| Molecular Formula | C22H22BrClN2O |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 1.5497 |
| Topological Polar Surface Area | 26.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.0604 |
| Heavy Atoms | 27 |
| Complexity | 1014.7466 |
Chemical Identifiers
| CAS Number | 58441-54-6 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Br)C.[Cl-] |
Product Overview
RefChem:561291 (CAS 58441-54-6), with molecular formula C22H22BrClN2O and molecular weight 444.06 g/mol. IUPAC: 2-[4-(6-bromo-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol chloride.
Chemical Property Profile of RefChem:561291
Property Insights of RefChem:561291
The XLogP value of 1.5497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:561291. With a topological polar surface area (TPSA) of 26.48 Ų, RefChem:561291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:561291 has 1 hydrogen bond donor(s) and 2 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:561291?
The CAS number of RefChem:561291 is 58441-54-6.
What is the molecular formula of RefChem:561291?
The molecular formula of RefChem:561291 is C22H22BrClN2O.
What is the molecular weight of RefChem:561291?
The molecular weight of RefChem:561291 is 444.06 g/mol.
Where can I buy RefChem:561291?
You can request a quote for RefChem:561291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561291?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.