isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate
TL;DR: isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 370075-20-0) is a chemical compound with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate, propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate, propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
| Molecular Formula | C25H23ClN4O3S |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 5.0292 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.11795 |
| Heavy Atoms | 34 |
| Complexity | 1288.0415 |
Chemical Identifiers
| CAS Number | 370075-20-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)OC(C)C)C |
Product Overview
isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 370075-20-0), with molecular formula C25H23ClN4O3S and molecular weight 494.12 g/mol. IUPAC: propan-2-yl 6-amino-4-(2-chlorophenyl)-5-cyano-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate
Property Insights of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate
The XLogP value of 5.0292 indicates that isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate?
The CAS number of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate is 370075-20-0.
What is the molecular formula of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate?
The molecular formula of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate is C25H23ClN4O3S.
What is the molecular weight of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate?
The molecular weight of isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate is 494.12 g/mol.
Where can I buy isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate?
You can request a quote for isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-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 isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-(((3-cyano-4,6-dimethylpyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.