RefChem:117091
TL;DR: RefChem:117091 (CAS 83270-34-2) is a chemical compound with molecular formula C24H25BrN2O3 and molecular weight 468.10 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 acetate
Also Known As: 6-Bromo-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methylbenz(cd)indolium acetate, Benz(cd)indolium, 6-bromo-2-(4-(ethyl(2-hydroxyethyl)amino)phenyl)-1-methyl-, acetate (1:1), 6-Bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate, Benz[cd]indolium, 6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methyl-, acetate (salt), 2-[4-(6-bromo-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol,acetate
| Molecular Formula | C24H25BrN2O3 |
|---|---|
| Molecular Weight | 468.10 g/mol |
| LogP | 3.3019 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.10486 |
| Heavy Atoms | 30 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 83270-34-2 |
|---|---|
| SMILES | CCN(CCO)C1=CC=C(C=C1)C2=[N+](C3=C4C2=CC=CC4=C(C=C3)Br)C.CC(=O)[O-] |
| InChIKey | BWOJXALPWMASQP-UHFFFAOYSA-M |
Product Overview
RefChem:117091 (CAS 83270-34-2), with molecular formula C24H25BrN2O3 and molecular weight 468.10 g/mol. IUPAC: 2-[4-(6-bromo-1-methylbenzo[cd]indol-1-ium-2-yl)-N-ethylanilino]ethanol acetate.
Chemical Property Profile of RefChem:117091
Property Insights of RefChem:117091
The XLogP value of 3.3019 indicates that RefChem:117091 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:117091. Following Lipinski's Rule of Five, RefChem:117091 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:117091?
The CAS number of RefChem:117091 is 83270-34-2.
What is the molecular formula of RefChem:117091?
The molecular formula of RefChem:117091 is C24H25BrN2O3.
What is the molecular weight of RefChem:117091?
The molecular weight of RefChem:117091 is 468.10 g/mol.
Where can I buy RefChem:117091?
You can request a quote for RefChem:117091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.