3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone
TL;DR: 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone (CAS 5209-99-4) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-2-(4-methylphenyl)-5-oxo-2H-furan-4-yl] acetate
Also Known As: 3-(ACETYLOXY)-4-METHYL-5-(4-METHYLPHENYL)-2(5H)-FURANONE, [3-methyl-2-(4-methylphenyl)-5-oxo-2H-furan-4-yl] acetate, 4-Methyl-5-(4-methylphenyl)-2-oxo-2,5-dihydrofuran-3-yl acetate
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 5209-99-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)O2)OC(=O)C)C |
| InChIKey | XTTFAUBSWLANNP-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone (CAS 5209-99-4), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: [3-methyl-2-(4-methylphenyl)-5-oxo-2H-furan-4-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone
Property Insights of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone 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 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone?
The CAS number of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone is 5209-99-4.
What is the molecular formula of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone?
The molecular formula of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone is C14H14O4.
What is the molecular weight of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone?
The molecular weight of 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone is 246.09 g/mol.
Where can I buy 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone?
You can request a quote for 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-4-methyl-5-(4-methylphenyl)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.