6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester
TL;DR: 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester (CAS 117833-08-6) is a chemical compound with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylate
Also Known As: BAS 00899118, 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester, ethyl 6-amino-5-cyano-2-phenyl-4-(pyridin-4-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylate, A0565/0026097
| Molecular Formula | C20H17N3O3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 2.86368 |
| Topological Polar Surface Area | 98.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.12698 |
| Heavy Atoms | 26 |
| Complexity | 912.3225 |
Chemical Identifiers
| CAS Number | 117833-08-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=NC=C2)C#N)N)C3=CC=CC=C3 |
Product Overview
6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester (CAS 117833-08-6), with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester
Property Insights of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester
The XLogP value of 2.86368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester. The TPSA of 98.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester 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 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester?
The CAS number of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester is 117833-08-6.
What is the molecular formula of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester?
The molecular formula of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester is C20H17N3O3.
What is the molecular weight of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester?
The molecular weight of 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester is 347.13 g/mol.
Where can I buy 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester?
You can request a quote for 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-cyano-2-phenyl-4-pyridin-4-yl-4H-pyran-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.