![methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate structure](/static/products/533/53369-26-9.png)
methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
TL;DR: methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate (CAS 53369-26-9) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
Also Known As: methyl 2-[(1S,2S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.5011 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 280.90228 |
Chemical Identifiers
| CAS Number | 53369-26-9 |
|---|---|
| SMILES | CCC=CC[C@H]1[C@@H](CCC1=O)CC(=O)OC |
Product Overview
methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate (CAS 53369-26-9), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate.
Chemical Property Profile of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
Property Insights of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
The XLogP value of 2.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate. With a topological polar surface area (TPSA) of 43.37 Ų, methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate has 0 hydrogen bond donor(s) and 3 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 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate?
The CAS number of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate is 53369-26-9.
What is the molecular formula of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate?
The molecular formula of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate is C13H20O3.
What is the molecular weight of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate?
The molecular weight of methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate is 224.14 g/mol.
Where can I buy methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate?
You can request a quote for methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(1S,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.