Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate
TL;DR: Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate (CAS 727667-66-5) is a chemical compound with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2,2,3,3-tetracyanocyclopropane-1-carboxylate
Also Known As: propyl 2,2,3,3-tetracyanocyclopropanecarboxylate, propyl 2,2,3,3-tetracyanocyclopropane-1-carboxylate, A3745/0158719, PROPYL 2,2,3,3-TETRACYANO-1-CYCLOPROPANECARBOXYLATE
| Molecular Formula | C11H8N4O2 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.63652 |
| Topological Polar Surface Area | 121.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06473 |
| Heavy Atoms | 17 |
| Complexity | 445.5504 |
Chemical Identifiers
| CAS Number | 727667-66-5 |
|---|---|
| SMILES | CCCOC(=O)C1C(C1(C#N)C#N)(C#N)C#N |
Product Overview
Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate (CAS 727667-66-5), with molecular formula C11H8N4O2 and molecular weight 228.06 g/mol. IUPAC: propyl 2,2,3,3-tetracyanocyclopropane-1-carboxylate.
Chemical Property Profile of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate
Property Insights of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate
The XLogP value of 0.63652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate. The TPSA of 121.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate. Following Lipinski's Rule of Five, Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate 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 Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate?
The CAS number of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate is 727667-66-5.
What is the molecular formula of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate?
The molecular formula of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate is C11H8N4O2.
What is the molecular weight of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate?
The molecular weight of Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate is 228.06 g/mol.
Where can I buy Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate?
You can request a quote for Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2,2,3,3-tetracyano-1-cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.