![ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate structure](/static/products/3408/340817-63-2.webp)
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate (CAS 340817-63-2) is a chemical compound with molecular formula C26H24FN5O3S and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate, 6-Amino-5-cyano-2-(3-cyano-6-methyl-5,6,7,8-tetrahydro-[1,6]naphthyridin-2-ylsulfanylmethyl)-4-(4-fluor o-phenyl)-4H-pyran-3-carboxylic acid ethyl ester, ethyl 6-amino-5-cyano-2-(((3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)methyl)-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C26H24FN5O3S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 3.49746 |
| Topological Polar Surface Area | 125.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.1584 |
| Heavy Atoms | 36 |
| Complexity | 1341.074 |
Chemical Identifiers
| CAS Number | 340817-63-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)F)C#N)N)CSC3=C(C=C4CN(CCC4=N3)C)C#N |
Product Overview
ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate (CAS 340817-63-2), with molecular formula C26H24FN5O3S and molecular weight 505.16 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)sulfanylmethyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
The XLogP value of 3.49746 indicates that ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 9 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-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate is 340817-63-2.
What is the molecular formula of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate is C26H24FN5O3S.
What is the molecular weight of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate is 505.16 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-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-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.