Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate
TL;DR: Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate (CAS 340807-64-9) is a chemical compound with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_011383, BAS 07416414, Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate, AB00078747-01, A1885/0079272
| Molecular Formula | C18H19FN2O3 |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.13797 |
| Heavy Atoms | 24 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 340807-64-9 |
|---|---|
| SMILES | CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)F)C(=O)OCC |
| InChIKey | RRNUTTMVYJMSPT-UHFFFAOYSA-N |
Product Overview
Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate (CAS 340807-64-9), with molecular formula C18H19FN2O3 and molecular weight 330.14 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate.
Chemical Property Profile of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate
Property Insights of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate
The XLogP value of 3.4 indicates that Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate has 1 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 Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The CAS number of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate is 340807-64-9.
What is the molecular formula of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The molecular formula of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate is C18H19FN2O3.
What is the molecular weight of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The molecular weight of Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate is 330.14 g/mol.
Where can I buy Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate?
You can request a quote for Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.