RefChem:117086
TL;DR: RefChem:117086 (CAS 63817-45-8) is a chemical compound with molecular formula C27H31ClN2O and molecular weight 434.2125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(1-ethylbenzo[cd]indol-2-ylidene)-2,2,4-trimethyl-3,4-dihydroquinolin-1-ium-1-yl]ethanol chloride
Also Known As: 1-Ethyl-2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl)benz(cd)indolium chloride, Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, chloride, Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, chloride (1:1), 1-Ethyl-2-(1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline-6-yl)benz(c,d)indolium chloride, 1-Ethyl-2-[1-(2-hydroxyethyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-6-yl]benzo[cd]indol-1-ium chloride
Technical Specifications
| Molecular Formula | C27H31ClN2O |
| Molecular Weight | 434.2125 g/mol |
| XLogP | 1.59 |
| Topological Polar Surface Area (TPSA) | 26.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.2125 Da |
| Heavy Atoms | 31 |
| Complexity | 830.0 |
| SMILES | CCN1C2=CC=CC3=C2C(=CC=C3)C1=C4C=CC5=[N+](C(CC(C5=C4)C)(C)C)CCO.[Cl-] |
| InChIKey | NNBSQWDAIOZMOM-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:117086
Property Insights of RefChem:117086
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117086. With a topological polar surface area (TPSA) of 26.5 Ų, RefChem:117086 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:117086 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:117086?
The CAS number of RefChem:117086 is 63817-45-8.
What is the molecular formula of RefChem:117086?
The molecular formula of RefChem:117086 is C27H31ClN2O.
What is the molecular weight of RefChem:117086?
The molecular weight of RefChem:117086 is 434.2125 g/mol.
Where can I buy RefChem:117086?
You can request a quote for RefChem:117086 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:117086?
Yes, CoreyChem provides custom synthesis services for RefChem:117086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.