(4-Acetyl-3-methyloxolan-2-yl) acetate
TL;DR: (4-Acetyl-3-methyloxolan-2-yl) acetate (CAS 116560-44-2) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyl-3-methyloxolan-2-yl) acetate
Also Known As: (4-acetyl-3-methyloxolan-2-yl) acetate, (4-acetyl-3-methyl-oxolan-2-yl) Acetate, 4-acetyl-3-methyltetrahydrofuran-2-yl acetate
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.7471 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 223.65459 |
Chemical Identifiers
| CAS Number | 116560-44-2 |
|---|---|
| SMILES | CC1C(COC1OC(=O)C)C(=O)C |
Product Overview
(4-Acetyl-3-methyloxolan-2-yl) acetate (CAS 116560-44-2), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: (4-acetyl-3-methyloxolan-2-yl) acetate.
Chemical Property Profile of (4-Acetyl-3-methyloxolan-2-yl) acetate
Property Insights of (4-Acetyl-3-methyloxolan-2-yl) acetate
The XLogP value of 0.7471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Acetyl-3-methyloxolan-2-yl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, (4-Acetyl-3-methyloxolan-2-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Acetyl-3-methyloxolan-2-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 (4-Acetyl-3-methyloxolan-2-yl) acetate?
The CAS number of (4-Acetyl-3-methyloxolan-2-yl) acetate is 116560-44-2.
What is the molecular formula of (4-Acetyl-3-methyloxolan-2-yl) acetate?
The molecular formula of (4-Acetyl-3-methyloxolan-2-yl) acetate is C9H14O4.
What is the molecular weight of (4-Acetyl-3-methyloxolan-2-yl) acetate?
The molecular weight of (4-Acetyl-3-methyloxolan-2-yl) acetate is 186.09 g/mol.
Where can I buy (4-Acetyl-3-methyloxolan-2-yl) acetate?
You can request a quote for (4-Acetyl-3-methyloxolan-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Acetyl-3-methyloxolan-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Acetyl-3-methyloxolan-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.