Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
TL;DR: Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate (CAS 1977-65-7) is a chemical compound with molecular formula C13H16FNO6 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
Also Known As: triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate, triethyl (E)-1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
| Molecular Formula | C13H16FNO6 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 301.09616 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 1977-65-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=C(C#N)C(=O)OCC)C(=O)OCC)F |
| InChIKey | LKWIHGRAKVPKMK-UHFFFAOYSA-N |
Product Overview
Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate (CAS 1977-65-7), with molecular formula C13H16FNO6 and molecular weight 301.10 g/mol. IUPAC: triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
Property Insights of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 8 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 Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate?
The CAS number of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate is 1977-65-7.
What is the molecular formula of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate?
The molecular formula of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate is C13H16FNO6.
What is the molecular weight of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate?
The molecular weight of Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate is 301.10 g/mol.
Where can I buy Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate?
You can request a quote for Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 1-cyano-3-fluoroprop-1-ene-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.