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Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate structure
Fine Chemical

Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate

TL;DR: Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate (CAS 131484-70-3) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.19916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

cis-[(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Also Known As: Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate, [(1S)-3-[(E,2S)-2,5-dihydroxypent-3-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

CAS Number
131484-70-3
Molecular Formula
C22H30O7
Molecular Weight
406.19916 g/mol
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Technical Specifications

Molecular FormulaC22H30O7
Molecular Weight406.19916 g/mol
XLogP2.0
Topological Polar Surface Area (TPSA)110.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds10
Exact Mass406.19916 Da
Heavy Atoms29
Complexity772.0
SMILESCC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C[C@@H](/C=C/CO)O
InChIKeyZERZDNLKCWKBGT-VCXPSLFISA-N

Chemical Property Profile of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate

XLogP
2.0
TPSA (Topological Polar Surface Area)
110.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
10
Heavy Atoms
29
Complexity
772.0
Exact Mass
406.19916
Monoisotopic Mass
406.19916
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate

The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate. Following Lipinski's Rule of Five, Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?

The CAS number of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate is 131484-70-3.

What is the molecular formula of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?

The molecular formula of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate is C22H30O7.

What is the molecular weight of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?

The molecular weight of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate is 406.19916 g/mol.

Where can I buy Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?

You can request a quote for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?

Yes, CoreyChem provides custom synthesis services for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2S)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl]oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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