TL;DR: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- (CAS 131484-73-6) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-[3-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))-, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2S-(2alpha(R*(1S*,3S*)),3alpha))-, [3-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, 3-[(3-Ethenyloxiran-2-yl)methyl]-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, 3-{[(2R,3S)-3-ETHENYLOXIRAN-2-YL]METHYL}-2-METHYL-4-OXOCYCLOPENT-2-EN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.19876 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.19876 Da |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
| SMILES | CC1=C(C(=O)CC1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C[C@@H]3[C@@H](O3)C=C |
| InChIKey | YLTSKUZRLHIDSU-IVKSPPNPSA-N |
The XLogP value of 4.3 indicates that Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- is 131484-73-6.
The molecular formula of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- is C21H28O4.
The molecular weight of Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-((3-ethenyloxiranyl)methyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (2R-(2alpha(S*(1R*,3R*)),3alpha))- is 344.19876 g/mol.
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