TL;DR: Methylazatoxin (CAS 129565-13-5) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10R,15S)-10-(3,4,5-trimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one
Also Known As: Methylazatoxin, JM 244, Carbonylchlorohydrido[bis(2-diphenylphosphinoethyl)amino]ruthenium(II), (10R,15S)-10-(3,4,5-trimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one, (5R,11aS)-5-(3,4,5-Trimethoxyphenyl)-5,6,11,11a-tetrahydro-1H,3H-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one
| Molecular Formula | C22H22N2O5 |
| Molecular Weight | 394.15286 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.15286 Da |
| Heavy Atoms | 29 |
| Complexity | 604.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3 |
| InChIKey | SCLLIEKCYQJGGW-RNODOKPDSA-N |
The XLogP value of 3.3 indicates that Methylazatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylazatoxin. Following Lipinski's Rule of Five, Methylazatoxin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methylazatoxin is 129565-13-5.
The molecular formula of Methylazatoxin is C22H22N2O5.
The molecular weight of Methylazatoxin is 394.15286 g/mol.
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