Diethyl 2-fluoro-2-phenylmalonate
TL;DR: Diethyl 2-fluoro-2-phenylmalonate (CAS 2802-98-4) is a chemical compound with molecular formula C13H15FO4 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-fluoro-2-phenylpropanedioate
Also Known As: diethyl 2-fluoro-2-phenylmalonate, diethyl 2-fluoro-2-phenylpropanedioate, 1,3-DIETHYL 2-FLUORO-2-PHENYLPROPANEDIOATE, diethyl fluoro(phenyl)malonate, C6H5CF(COOCH2CH3)2
| Molecular Formula | C13H15FO4 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 1.9776 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09544 |
| Heavy Atoms | 18 |
| Complexity | 398.25925 |
Chemical Identifiers
| CAS Number | 2802-98-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)(C(=O)OCC)F |
Product Overview
Diethyl 2-fluoro-2-phenylmalonate (CAS 2802-98-4), with molecular formula C13H15FO4 and molecular weight 254.10 g/mol. IUPAC: diethyl 2-fluoro-2-phenylpropanedioate.
Chemical Property Profile of Diethyl 2-fluoro-2-phenylmalonate
Property Insights of Diethyl 2-fluoro-2-phenylmalonate
The XLogP value of 1.9776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-fluoro-2-phenylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-fluoro-2-phenylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-fluoro-2-phenylmalonate 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-fluoro-2-phenylmalonate?
The CAS number of Diethyl 2-fluoro-2-phenylmalonate is 2802-98-4.
What is the molecular formula of Diethyl 2-fluoro-2-phenylmalonate?
The molecular formula of Diethyl 2-fluoro-2-phenylmalonate is C13H15FO4.
What is the molecular weight of Diethyl 2-fluoro-2-phenylmalonate?
The molecular weight of Diethyl 2-fluoro-2-phenylmalonate is 254.10 g/mol.
Where can I buy Diethyl 2-fluoro-2-phenylmalonate?
You can request a quote for Diethyl 2-fluoro-2-phenylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-fluoro-2-phenylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-fluoro-2-phenylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.