N-Desmethoxyrankinidine
TL;DR: N-Desmethoxyrankinidine (CAS 122590-02-7) is a chemical compound with molecular formula C19H22N2O2 and molecular weight 310.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7Z)-7-ethylidenespiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one
Also Known As: N-Desmethoxyrankinidine, N-Demethoxyrankinidine, Humantenine, 1-demethoxy-4-demethyl-, Spiro(3H-indole-3,8'(7'H)-(4,7)methanooxepino(4,3-b)pyridin)-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-, (3S,3'Z,4'R,4'aS,7'R,9'aS)-
Technical Specifications
| Molecular Formula | C19H22N2O2 |
| Molecular Weight | 310.16812 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.16812 Da |
| Heavy Atoms | 23 |
| Complexity | 560.0 |
| SMILES | C/C=C/1\CNC2CC3(C4CC1C2CO4)C5=CC=CC=C5NC3=O |
| InChIKey | YIOBXNAEUXWNQS-BIIKFXOESA-N |
Chemical Property Profile of N-Desmethoxyrankinidine
Property Insights of N-Desmethoxyrankinidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethoxyrankinidine. With a topological polar surface area (TPSA) of 50.4 Ų, N-Desmethoxyrankinidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethoxyrankinidine has 2 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 N-Desmethoxyrankinidine?
The CAS number of N-Desmethoxyrankinidine is 122590-02-7.
What is the molecular formula of N-Desmethoxyrankinidine?
The molecular formula of N-Desmethoxyrankinidine is C19H22N2O2.
What is the molecular weight of N-Desmethoxyrankinidine?
The molecular weight of N-Desmethoxyrankinidine is 310.16812 g/mol.
Where can I buy N-Desmethoxyrankinidine?
You can request a quote for N-Desmethoxyrankinidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Desmethoxyrankinidine?
Yes, CoreyChem provides custom synthesis services for N-Desmethoxyrankinidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.