![propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate structure](/static/products/339/339582-52-4.png)
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
TL;DR: propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate (CAS 339582-52-4) is a chemical compound with molecular formula C28H30N4O3S and molecular weight 502.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
Also Known As: propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate, isopropyl 6-amino-5-cyano-2-(((3-cyano-4,5,6-trimethylpyridin-2-yl)thio)methyl)-4-(4-ethylphenyl)-4H-pyran-3-carboxylate, ISOPROPYL 6-AMINO-5-CYANO-2-{[(3-CYANO-4,5,6-TRIMETHYLPYRIDIN-2-YL)SULFANYL]METHYL}-4-(4-ETHYLPHENYL)-4H-PYRAN-3-CARBOXYLATE, propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C28H30N4O3S |
|---|---|
| Molecular Weight | 502.20 g/mol |
| LogP | 5.24662 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.20386 |
| Heavy Atoms | 36 |
| Complexity | 1328.5342 |
Chemical Identifiers
| CAS Number | 339582-52-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC(C)C)CSC3=C(C(=C(C(=N3)C)C)C)C#N)N)C#N |
Product Overview
propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate (CAS 339582-52-4), with molecular formula C28H30N4O3S and molecular weight 502.20 g/mol. IUPAC: propan-2-yl 6-amino-5-cyano-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanylmethyl]-4-(4-ethylphenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
Property Insights of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate
The XLogP value of 5.24662 indicates that propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-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 propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-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 propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate?
The CAS number of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate is 339582-52-4.
What is the molecular formula of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate?
The molecular formula of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate is C28H30N4O3S.
What is the molecular weight of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate?
The molecular weight of propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate is 502.20 g/mol.
Where can I buy propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate?
You can request a quote for propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-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 propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(4-ethylphenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.