Diethyl-alpha-fluoroglutarate
TL;DR: Diethyl-alpha-fluoroglutarate (CAS 1842-31-5) is a chemical compound with molecular formula C9H15FO4 and molecular weight 206.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-fluoropentanedioate
Also Known As: Diethyl-alpha-fluoroglutarate, diethyl 2-fluoropentanedioate, Pentanedioic acid, 2-fluoro-, diethyl ester, RefChem:133461
| Molecular Formula | C9H15FO4 |
|---|---|
| Molecular Weight | 206.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.09544 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 1842-31-5 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)F |
| InChIKey | MENKREJKKLLGQP-UHFFFAOYSA-N |
Product Overview
Diethyl-alpha-fluoroglutarate (CAS 1842-31-5), with molecular formula C9H15FO4 and molecular weight 206.10 g/mol. IUPAC: diethyl 2-fluoropentanedioate.
Chemical Property Profile of Diethyl-alpha-fluoroglutarate
Property Insights of Diethyl-alpha-fluoroglutarate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl-alpha-fluoroglutarate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl-alpha-fluoroglutarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-alpha-fluoroglutarate 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-alpha-fluoroglutarate?
The CAS number of Diethyl-alpha-fluoroglutarate is 1842-31-5.
What is the molecular formula of Diethyl-alpha-fluoroglutarate?
The molecular formula of Diethyl-alpha-fluoroglutarate is C9H15FO4.
What is the molecular weight of Diethyl-alpha-fluoroglutarate?
The molecular weight of Diethyl-alpha-fluoroglutarate is 206.10 g/mol.
Where can I buy Diethyl-alpha-fluoroglutarate?
You can request a quote for Diethyl-alpha-fluoroglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-alpha-fluoroglutarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-alpha-fluoroglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.