![Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate structure](/static/products/288/2889357-64-4.png)
Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate
TL;DR: Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate (CAS 2889357-64-4) is a chemical compound with molecular formula C16H18F2O4 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate
Also Known As: Posaconazole Impurity 191, 2-(2,4-Difluorophenyl)-2-propenyl-propanedioic Acid Diethyl Ester, Diethyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate, Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate, EC 619-693-1
| Molecular Formula | C16H18F2O4 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 3.1105 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1173 |
| Heavy Atoms | 22 |
| Complexity | 551.2643 |
Chemical Identifiers
| CAS Number | 2889357-64-4 |
|---|---|
| SMILES | CCOC(=O)C(CC(=C)C1=C(C=C(C=C1)F)F)C(=O)OCC |
Product Overview
Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate (CAS 2889357-64-4), with molecular formula C16H18F2O4 and molecular weight 312.12 g/mol. IUPAC: diethyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate.
Chemical Property Profile of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate
Property Insights of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate
The XLogP value of 3.1105 indicates that Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate 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 Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate?
The CAS number of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate is 2889357-64-4.
What is the molecular formula of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate?
The molecular formula of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate is C16H18F2O4.
What is the molecular weight of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate?
The molecular weight of Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate is 312.12 g/mol.
Where can I buy Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate?
You can request a quote for Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2-(2,4-difluorophenyl) prop-2-en-1-yl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.