((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate
TL;DR: ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate (CAS 96648-30-5) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-2-methyl-4-methylidene-5-oxooxolan-3-yl] acetate
Also Known As: KST-1A9156, ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate, (2s,3s)-2-methyl-4-methylidene-5-oxotetrahydrofuran-3-yl acetate(non-preferred name), [(2S,3R)-2-methyl-4-methylidene-5-oxo-oxolan-3-yl] Acetate, [(2S,3S)-2-methyl-4-methylidene-5-oxooxolan-3-yl] acetate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 96648-30-5 |
|---|---|
| SMILES | C[C@H]1[C@H](C(=C)C(=O)O1)OC(=O)C |
| InChIKey | JZGWKCUCNRXOMW-FSPLSTOPSA-N |
Product Overview
((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate (CAS 96648-30-5), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: [(2S,3S)-2-methyl-4-methylidene-5-oxooxolan-3-yl] acetate.
Chemical Property Profile of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate
Property Insights of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate has 0 hydrogen bond donor(s) and 4 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 ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate?
The CAS number of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate is 96648-30-5.
What is the molecular formula of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate?
The molecular formula of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate is C8H10O4.
What is the molecular weight of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate?
The molecular weight of ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate is 170.06 g/mol.
Where can I buy ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate?
You can request a quote for ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for ((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.