![ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate structure](/static/products/4894/489406-38-4.webp)
ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate (CAS 489406-38-4) is a chemical compound with molecular formula C28H27N5O6 and molecular weight 529.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-4-{3-[(3,5-dimethyl-4-nitropyrazolyl)methyl]-4-methoxyphenyl}-5- cyano-2-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylate
| Molecular Formula | C28H27N5O6 |
|---|---|
| Molecular Weight | 529.20 g/mol |
| LogP | 4.24712 |
| Topological Polar Surface Area | 155.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1961 |
| Heavy Atoms | 39 |
| Complexity | 1548.3099 |
Chemical Identifiers
| CAS Number | 489406-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)OC)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C#N)N)C4=CC=CC=C4 |
Product Overview
ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate (CAS 489406-38-4), with molecular formula C28H27N5O6 and molecular weight 529.20 g/mol. IUPAC: ethyl 6-amino-5-cyano-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-2-phenyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate
The XLogP value of 4.24712 indicates that ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.53 Ų indicates high polarity, suggesting ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-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-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate is 489406-38-4.
What is the molecular formula of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate is C28H27N5O6.
What is the molecular weight of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate is 529.20 g/mol.
Where can I buy ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-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-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2-phenyl-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.