rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate
TL;DR: rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate (CAS 93452-03-0) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetate
Also Known As: Methyl epi-dihydrojasmonate, (-)-cis-Methyl dihydrojasmonate, methyl dihydroepijasmonate, Methyl dihydrojasmonate, (-)-cis-, methyl dihydrojasmonate (cis)
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.7251 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 247.56226 |
Chemical Identifiers
| CAS Number | 93452-03-0 |
|---|---|
| SMILES | CCCCC[C@@H]1[C@@H](CCC1=O)CC(=O)OC |
Product Overview
rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate (CAS 93452-03-0), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: methyl 2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetate.
Chemical Property Profile of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate
Property Insights of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate
The XLogP value of 2.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate. With a topological polar surface area (TPSA) of 43.37 Ų, rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate 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 rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate?
The CAS number of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate is 93452-03-0.
What is the molecular formula of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate?
The molecular formula of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate is C13H22O3.
What is the molecular weight of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate?
The molecular weight of rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate is 226.16 g/mol.
Where can I buy rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate?
You can request a quote for rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate?
Yes, KEHONG BIO provides custom synthesis services for rel-Methyl (1R,2S)-3-oxo-2-pentylcyclopentaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.