ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
TL;DR: ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate (CAS 67720-58-5) is a chemical compound with molecular formula C21H17ClN2O3 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
Also Known As: ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate, ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3
| Molecular Formula | C21H17ClN2O3 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.09277 |
| Heavy Atoms | 27 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 67720-58-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)C3=CC=CC=C3)N |
| InChIKey | WUDXIQWBFQIIAQ-UHFFFAOYSA-N |
Product Overview
ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate (CAS 67720-58-5), with molecular formula C21H17ClN2O3 and molecular weight 380.09 g/mol. IUPAC: ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
Property Insights of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
The XLogP value of 4.4 indicates that ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-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 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate has 1 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 ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate is 67720-58-5.
What is the molecular formula of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate is C21H17ClN2O3.
What is the molecular weight of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate is 380.09 g/mol.
Where can I buy ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-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 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.