2-乙酰基-5-甲基呋喃
TL;DR: 2-乙酰基-5-甲基呋喃 (CAS 1193-79-9) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-5-甲基呋喃
1-(5-methylfuran-2-yl)ethanone
Also Known As: 2-ACETYL-5-METHYLFURAN, 1-(5-methylfuran-2-yl)ethanone, 5-Methyl-2-acetylfuran, 1-(5-Methyl-2-furyl)ethanone, Ethanone, 1-(5-methyl-2-furanyl)-
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
| Boiling Point | 100.00 to 101.00 °C. @ 25.00 mm Hg |
| Density | 1.065-1.074 |
| Solubility | slightly |
| Refractive Index | 1.511-1.517 |
Chemical Identifiers
| CAS Number | 1193-79-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C |
| InChIKey | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基-5-甲基呋喃 (CAS 1193-79-9), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 1-(5-methylfuran-2-yl)ethanone.
Chemical Property Profile of 2-乙酰基-5-甲基呋喃
Property Insights of 2-乙酰基-5-甲基呋喃
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基-5-甲基呋喃. With a topological polar surface area (TPSA) of 30.2 Ų, 2-乙酰基-5-甲基呋喃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基-5-甲基呋喃 has 0 hydrogen bond donor(s) and 2 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 2-乙酰基-5-甲基呋喃?
The CAS number of 2-乙酰基-5-甲基呋喃 is 1193-79-9.
What is the molecular formula of 2-乙酰基-5-甲基呋喃?
The molecular formula of 2-乙酰基-5-甲基呋喃 is C7H8O2.
What is the molecular weight of 2-乙酰基-5-甲基呋喃?
The molecular weight of 2-乙酰基-5-甲基呋喃 is 124.05 g/mol.
Where can I buy 2-乙酰基-5-甲基呋喃?
You can request a quote for 2-乙酰基-5-甲基呋喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-5-甲基呋喃?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-5-甲基呋喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.