![ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate structure](/static/products/3163/316357-73-0.webp)
ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate (CAS 316357-73-0) is a chemical compound with molecular formula C31H22ClN5O3S2 and molecular weight 611.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanylmethyl]-5-cyano-4-pyridin-3-yl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridinyl]sulfanyl}methyl)-5-cyano-4-(3-pyridinyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanylmethyl]-5-cyano-4-pyridin-3-yl-4H-pyran-3-carboxylate, ethyl 6-amino-2-(((4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl)thio)methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridinyl]sulfanyl}methyl)-5-cyano-4-(3-pyridinyl)-4H-pyra
| Molecular Formula | C31H22ClN5O3S2 |
|---|---|
| Molecular Weight | 611.09 g/mol |
| LogP | 6.81436 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 611.08527 |
| Heavy Atoms | 42 |
| Complexity | 1774.222 |
Chemical Identifiers
| CAS Number | 316357-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=C(C(=CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)Cl)C#N |
Product Overview
ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate (CAS 316357-73-0), with molecular formula C31H22ClN5O3S2 and molecular weight 611.09 g/mol. IUPAC: ethyl 6-amino-2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanylmethyl]-5-cyano-4-pyridin-3-yl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
The XLogP value of 6.81436 indicates that ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate is 316357-73-0.
What is the molecular formula of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate is C31H22ClN5O3S2.
What is the molecular weight of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate is 611.09 g/mol.
Where can I buy ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-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-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-2-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-5-cyano-4-(pyridin-3-yl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.