![3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran structure](/static/products/104/104690-74-6.png)
3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran
TL;DR: 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran (CAS 104690-74-6) is a chemical compound with molecular formula C12H19O5P and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(diethoxyphosphorylmethyl)-2-methylfuran-3-yl]ethanone
Also Known As: 1-[5-(diethoxyphosphorylmethyl)-2-methylfuran-3-yl]ethanone, 3-acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran, diethyl ((4-acetyl-5-methylfuran-2-yl)methyl)phosphonate, diethyl [(4-acetyl-5-methylfuran-2-yl)methyl]phosphonate, (4-Acetyl-5-methyl-furan-2-ylmethyl)-phosphonic acid diethyl ester
| Molecular Formula | C12H19O5P |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 3.55672 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.09702 |
| Heavy Atoms | 18 |
| Complexity | 453.03287 |
Chemical Identifiers
| CAS Number | 104690-74-6 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC(=C(O1)C)C(=O)C)OCC |
Product Overview
3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran (CAS 104690-74-6), with molecular formula C12H19O5P and molecular weight 274.10 g/mol. IUPAC: 1-[5-(diethoxyphosphorylmethyl)-2-methylfuran-3-yl]ethanone.
Chemical Property Profile of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran
Property Insights of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran
The XLogP value of 3.55672 indicates that 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran. Following Lipinski's Rule of Five, 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran has 0 hydrogen bond donor(s) and 5 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-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran?
The CAS number of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran is 104690-74-6.
What is the molecular formula of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran?
The molecular formula of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran is C12H19O5P.
What is the molecular weight of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran?
The molecular weight of 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran is 274.10 g/mol.
Where can I buy 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran?
You can request a quote for 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-5-[(diethoxycarbonyl)methyl]-2-methylfuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.