Diethyl 3-fluorobenzylmalonate
TL;DR: Diethyl 3-fluorobenzylmalonate (CAS 6610-88-4) is a chemical compound with molecular formula C14H17FO4 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-fluorophenyl)methyl]propanedioate
Also Known As: diethyl 3-fluorobenzylmalonate, diethyl 2-(3-fluorobenzyl)malonate, diethyl(3-fluorobenzyl)propanedioate, diethyl 2-[(3-fluorophenyl)methyl]propanedioate, Diethyl [(3-fluorophenyl)methyl]propanedioate
| Molecular Formula | C14H17FO4 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.11108 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 6610-88-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=CC=C1)F)C(=O)OCC |
| InChIKey | DVAZXEUXJKRBTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-fluorobenzylmalonate (CAS 6610-88-4), with molecular formula C14H17FO4 and molecular weight 268.11 g/mol. IUPAC: diethyl 2-[(3-fluorophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl 3-fluorobenzylmalonate
Property Insights of Diethyl 3-fluorobenzylmalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-fluorobenzylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3-fluorobenzylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-fluorobenzylmalonate 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 3-fluorobenzylmalonate?
The CAS number of Diethyl 3-fluorobenzylmalonate is 6610-88-4.
What is the molecular formula of Diethyl 3-fluorobenzylmalonate?
The molecular formula of Diethyl 3-fluorobenzylmalonate is C14H17FO4.
What is the molecular weight of Diethyl 3-fluorobenzylmalonate?
The molecular weight of Diethyl 3-fluorobenzylmalonate is 268.11 g/mol.
Where can I buy Diethyl 3-fluorobenzylmalonate?
You can request a quote for Diethyl 3-fluorobenzylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-fluorobenzylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-fluorobenzylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.