![methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate structure](/static/products/4894/489416-89-9.webp)
methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
TL;DR: methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate (CAS 489416-89-9) is a chemical compound with molecular formula C23H20N4O4S and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Also Known As: methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, methyl 6-amino-5-cyano-2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, methyl 6-amino-5-cyano-2-(((3-cyano-6-methylpyridin-2-yl)thio)methyl)-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, methyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate, methyl6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C23H20N4O4S |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 3.29738 |
| Topological Polar Surface Area | 131.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.1205 |
| Heavy Atoms | 32 |
| Complexity | 1189.9576 |
Chemical Identifiers
| CAS Number | 489416-89-9 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SCC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC)C(=O)OC |
Product Overview
methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate (CAS 489416-89-9), with molecular formula C23H20N4O4S and molecular weight 448.12 g/mol. IUPAC: methyl 6-amino-5-cyano-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanylmethyl]-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
Property Insights of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate
The XLogP value of 3.29738 indicates that methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.25 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 9 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 methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The CAS number of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate is 489416-89-9.
What is the molecular formula of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The molecular formula of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate is C23H20N4O4S.
What is the molecular weight of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
The molecular weight of methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate is 448.12 g/mol.
Where can I buy methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
You can request a quote for methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-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 methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-amino-5-cyano-2-{[(3-cyano-6-methylpyridin-2-yl)sulfanyl]methyl}-4-(4-methoxyphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.