Loxothyrin A
TL;DR: Loxothyrin A (CAS 162762-96-1) is a chemical compound with molecular formula C24H30O9 and molecular weight 462.189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,1'R,2'R,4'S,5S,6S,7R,9S)-4'-acetyloxy-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate
Also Known As: Loxothyrin A, NCI60_028472, ((1S,1'R,2'R,4'S,5S,6S,7R,9S)-4'-acetyloxy-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro(3-oxatricyclo(7.2.1.01,6)dodecane-5,3'-cyclohexane)-1'-yl)methyl acetate, ((1S,1'r,2S,5R,6R,6'r,7'r,9'r)-2-(Acetyloxy)-6-formyl-7'-hydroxy-5-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro(cyclohexane-1,5'-tricyclo(7.2.1.0,)dodecane)-5-yl)methyl acetic acid, [(1S,1'R,2'R,4'S,5S,6S,7R,9S)-4'-acetyloxy-2'-formyl-7-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl]methyl acetate
Technical Specifications
| Molecular Formula | C24H30O9 |
| Molecular Weight | 462.189 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.189 Da |
| Heavy Atoms | 33 |
| Complexity | 940.0 |
| SMILES | CC(=O)OC[C@@]1(CC[C@@H]([C@@]2([C@@H]1C=O)COC(=O)[C@]34[C@H]2[C@@H](C[C@H](C3)C(=C)C4=O)O)OC(=O)C)C |
| InChIKey | DESXTEYYECQGPC-METYIPFGSA-N |
Chemical Property Profile of Loxothyrin A
Property Insights of Loxothyrin A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Loxothyrin A. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Loxothyrin A. Following Lipinski's Rule of Five, Loxothyrin A has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Loxothyrin A?
The CAS number of Loxothyrin A is 162762-96-1.
What is the molecular formula of Loxothyrin A?
The molecular formula of Loxothyrin A is C24H30O9.
What is the molecular weight of Loxothyrin A?
The molecular weight of Loxothyrin A is 462.189 g/mol.
Where can I buy Loxothyrin A?
You can request a quote for Loxothyrin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Loxothyrin A?
Yes, CoreyChem provides custom synthesis services for Loxothyrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.