![ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate structure](/static/products/340/340812-22-8.png)
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate (CAS 340812-22-8) is a chemical compound with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-(methylthio)phenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylthiophenyl)-4H-pyran-3-carbo xylate
| Molecular Formula | C17H17ClN2O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.27218 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.06485 |
| Heavy Atoms | 24 |
| Complexity | 735.1977 |
Chemical Identifiers
| CAS Number | 340812-22-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CCl |
Product Overview
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate (CAS 340812-22-8), with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol. IUPAC: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate
The XLogP value of 3.27218 indicates that ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-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-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate 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 ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate is 340812-22-8.
What is the molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate is C17H17ClN2O3S.
What is the molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate is 364.06 g/mol.
Where can I buy ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-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-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-2-(chloromethyl)-5-cyano-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.