ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate (CAS 331856-48-5) is a chemical compound with molecular formula C18H18Cl2N2O3 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate, BAS 00639177, ethyl 6-amino-4-(2,4-dichlorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate
| Molecular Formula | C18H18Cl2N2O3 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 4.41838 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.06946 |
| Heavy Atoms | 25 |
| Complexity | 794.00116 |
Chemical Identifiers
| CAS Number | 331856-48-5 |
|---|---|
| SMILES | CCCC1=C(C(C(=C(O1)N)C#N)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC |
Product Overview
ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate (CAS 331856-48-5), with molecular formula C18H18Cl2N2O3 and molecular weight 380.07 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
The XLogP value of 4.41838 indicates that ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-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 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate is 331856-48-5.
What is the molecular formula of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate is C18H18Cl2N2O3.
What is the molecular weight of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate is 380.07 g/mol.
Where can I buy ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-4-(2,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.