Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-
TL;DR: Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- (CAS 131380-61-5) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-[(1S)-2-methyl-3-[(E)-3-[(2S)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-, [(1S)-2-methyl-3-[(E)-3-[(2S)-oxiran-2-yl]prop-2-enyl]-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Technical Specifications
| Molecular Formula | C21H26O6 |
| Molecular Weight | 374.17294 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.17294 Da |
| Heavy Atoms | 27 |
| Complexity | 742.0 |
| SMILES | CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C\C(=O)OC)C/C=C/[C@H]3CO3 |
| InChIKey | CZHCWCCAFIXIFY-CWPDKTOZSA-N |
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-
Property Insights of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-?
The CAS number of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- is 131380-61-5.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-?
The molecular formula of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- is C21H26O6.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-?
The molecular weight of Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- is 374.17294 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-?
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Does CoreyChem offer custom synthesis for Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))-?
Yes, CoreyChem provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(3-methoxy-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-3-(3-oxiranyl-2-propenyl)-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(Z(S*))),3beta(E)))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.