Diethyl 2-cyano-2-fluoropentanedioate
TL;DR: Diethyl 2-cyano-2-fluoropentanedioate (CAS 18283-29-9) is a chemical compound with molecular formula C10H14FNO4 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyano-2-fluoropentanedioate
Also Known As: diethyl 2-cyano-2-fluoropentanedioate, Pentanedioic acid, 2-cyano-2-fluoro-, 1,5-diethyl ester
| Molecular Formula | C10H14FNO4 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.09068 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 18283-29-9 |
|---|---|
| SMILES | CCOC(=O)CCC(C#N)(C(=O)OCC)F |
| InChIKey | VTRDNWSCCYTUAG-UHFFFAOYSA-N |
Product Overview
Diethyl 2-cyano-2-fluoropentanedioate (CAS 18283-29-9), with molecular formula C10H14FNO4 and molecular weight 231.09 g/mol. IUPAC: diethyl 2-cyano-2-fluoropentanedioate.
Chemical Property Profile of Diethyl 2-cyano-2-fluoropentanedioate
Property Insights of Diethyl 2-cyano-2-fluoropentanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-cyano-2-fluoropentanedioate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-cyano-2-fluoropentanedioate. Following Lipinski's Rule of Five, Diethyl 2-cyano-2-fluoropentanedioate has 0 hydrogen bond donor(s) and 6 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-cyano-2-fluoropentanedioate?
The CAS number of Diethyl 2-cyano-2-fluoropentanedioate is 18283-29-9.
What is the molecular formula of Diethyl 2-cyano-2-fluoropentanedioate?
The molecular formula of Diethyl 2-cyano-2-fluoropentanedioate is C10H14FNO4.
What is the molecular weight of Diethyl 2-cyano-2-fluoropentanedioate?
The molecular weight of Diethyl 2-cyano-2-fluoropentanedioate is 231.09 g/mol.
Where can I buy Diethyl 2-cyano-2-fluoropentanedioate?
You can request a quote for Diethyl 2-cyano-2-fluoropentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyano-2-fluoropentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyano-2-fluoropentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.