ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 330181-26-5) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate, 6-Amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)-phenyl]-2-methyl-4H-pyran-3-carboxylic acid ethyl ester, ETHYL 6-AMINO-5-CYANO-4-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-2-METHYL-4H-PYRAN-3-CARBOXYLATE
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 4.02728 |
| Topological Polar Surface Area | 107.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1073.9744 |
Chemical Identifiers
| CAS Number | 330181-26-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CSC3=CC=CC=N3)C#N)N)C |
Product Overview
ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate (CAS 330181-26-5), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate
The XLogP value of 4.02728 indicates that ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate is 330181-26-5.
What is the molecular formula of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate is C23H23N3O4S.
What is the molecular weight of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate is 437.14 g/mol.
Where can I buy ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-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 ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.