Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate
TL;DR: Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate (CAS 153649-82-2) is a chemical compound with molecular formula C14H23O5P and molecular weight 302.13 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]butan-1-one
Also Known As: 1-[5-(diethoxyphosphorylmethyl)-2-methylfuran-3-yl]butan-1-one, diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate, diethyl [(4-butanoyl-5-methylfuran-2-yl)methyl]phosphonate, (4-Butyryl-5-methyl-furan-2-ylmethyl)-phosphonic acid diethyl ester
| Molecular Formula | C14H23O5P |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.33692 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.1283 |
| Heavy Atoms | 20 |
| Complexity | 481.75375 |
Chemical Identifiers
| CAS Number | 153649-82-2 |
|---|---|
| SMILES | CCCC(=O)C1=C(OC(=C1)CP(=O)(OCC)OCC)C |
Product Overview
Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate (CAS 153649-82-2), with molecular formula C14H23O5P and molecular weight 302.13 g/mol. IUPAC: 1-[5-(diethoxyphosphorylmethyl)-2-methylfuran-3-yl]butan-1-one.
Chemical Property Profile of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate
Property Insights of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate
The XLogP value of 4.33692 indicates that Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate 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 Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate. Following Lipinski's Rule of Five, Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate 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 Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate?
The CAS number of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate is 153649-82-2.
What is the molecular formula of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate?
The molecular formula of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate is C14H23O5P.
What is the molecular weight of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate?
The molecular weight of Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate is 302.13 g/mol.
Where can I buy Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate?
You can request a quote for Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ((4-butyryl-5-methylfuran-2-yl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.