Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate (CAS 131484-63-4) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-[(1S)-3-[(E,2R)-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,2R)-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,2R)-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
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 1.8785 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 772.0303 |
Chemical Identifiers
| CAS Number | 131484-63-4 |
|---|---|
| SMILES | CC1=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 |
Product Overview
Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate (CAS 131484-63-4), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: cis-[(1S)-3-[(E,2R)-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.
Chemical Property Profile of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate
Property Insights of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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 1.8785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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,2R)-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
Frequently Asked Questions
What is the CAS number of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate is 131484-63-4.
What is the molecular formula of Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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,2R)-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,2R)-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,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate is 406.20 g/mol.
Where can I buy Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-2,5-dihydroxypent-3-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-3-((1S,3R)-3-(((1S)-3-((E,2R)-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.