![ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate structure](/static/products/7123/712308-14-0.webp)
ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate (CAS 712308-14-0) is a chemical compound with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-methylquinoxalin-2-ylthio)methy l]-4H-pyran-3-carboxylate
| Molecular Formula | C25H21FN4O3S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 4.4945 |
| Topological Polar Surface Area | 111.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.13184 |
| Heavy Atoms | 34 |
| Complexity | 1380.0786 |
Chemical Identifiers
| CAS Number | 712308-14-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC4=CC=CC=C4N=C3C |
Product Overview
ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate (CAS 712308-14-0), with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
The XLogP value of 4.4945 indicates that ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]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-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate is 712308-14-0.
What is the molecular formula of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate is C25H21FN4O3S.
What is the molecular weight of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate is 476.13 g/mol.
Where can I buy ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]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-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-{[(3-methylquinoxalin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.