Emeline
TL;DR: Emeline (CAS 102207-58-9) is a chemical compound with molecular formula C22H27N3 and molecular weight 333.2205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Also Known As: Emeline, Emelin, 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-, 2,3,4,5-Tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole, 2-ethyl-8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Technical Specifications
| Molecular Formula | C22H27N3 |
| Molecular Weight | 333.2205 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.2205 Da |
| Heavy Atoms | 25 |
| Complexity | 439.0 |
| SMILES | CCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)C |
| InChIKey | ISWGLGLPSQCQIO-UHFFFAOYSA-N |
Chemical Property Profile of Emeline
Property Insights of Emeline
The XLogP value of 3.9 indicates that Emeline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, Emeline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Emeline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Emeline?
The CAS number of Emeline is 102207-58-9.
What is the molecular formula of Emeline?
The molecular formula of Emeline is C22H27N3.
What is the molecular weight of Emeline?
The molecular weight of Emeline is 333.2205 g/mol.
Where can I buy Emeline?
You can request a quote for Emeline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emeline?
Yes, CoreyChem provides custom synthesis services for Emeline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.