TL;DR: ACTG Toxin C (CAS 103886-93-7) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one
Also Known As: ACTG Toxin C, phenol, 2-[(E)-(phenylimino)methyl]-, 2-[[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-hydroxy-3-methyloxolan-2-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one, 2-Cyclohexen-1-one, 2-((5-(2,6-dimethyl-1,5-heptadienyl)tetrahydro-3-hydroxy-3-methyl-2-furanyl)methyl)-3,6-dihydroxy-, 2-{[5-(2,6-dimethylhepta-1,5-dien-1-yl)-3-hydroxy-3-methyloxolan-2-yl]methyl}-3,6-dihydroxycyclohex-2-en-1-one
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.22498 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.22498 Da |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
| SMILES | CC(=CCC/C(=C/C1CC(C(O1)CC2=C(C(CCC2=O)O)O)(C)O)/C)C |
| InChIKey | AGIQMOPLGHERJR-GXDHUFHOSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ACTG Toxin C. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ACTG Toxin C. Following Lipinski's Rule of Five, ACTG Toxin C has 3 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 ACTG Toxin C is 103886-93-7.
The molecular formula of ACTG Toxin C is C21H32O5.
The molecular weight of ACTG Toxin C is 364.22498 g/mol.
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