![ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate structure](/static/products/3301/330180-52-4.webp)
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate (CAS 330180-52-4) is a chemical compound with molecular formula C25H23IN4O3S and molecular weight 586.05 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-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate, A0439/0020348, ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(2-iodophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-(((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)methyl)-4-(2-iodophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C25H23IN4O3S |
|---|---|
| Molecular Weight | 586.05 g/mol |
| LogP | 4.90032 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 586.0536 |
| Heavy Atoms | 34 |
| Complexity | 1304.4597 |
Chemical Identifiers
| CAS Number | 330180-52-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2I)C#N)N)CSC3=C(C(=C(C(=N3)C)C)C)C#N |
Product Overview
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate (CAS 330180-52-4), with molecular formula C25H23IN4O3S and molecular weight 586.05 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(2-iodophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
The XLogP value of 4.90032 indicates that ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate is 330180-52-4.
What is the molecular formula of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate is C25H23IN4O3S.
What is the molecular weight of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate is 586.05 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-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-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.