ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate (CAS 72568-55-9) is a chemical compound with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate, BAS 01280152, J2.575.598G, ethyl 6-amino-5-cyano-4-{4-nitrophenyl}-2-methyl-4H-pyran-3-carboxylate, 6-Amino-5-cyano-2-methyl-4-(4-nitro-phenyl)-4H-pyran-3-carboxylic acid ethyl ester
| Molecular Formula | C16H15N3O5 |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 2.23958 |
| Topological Polar Surface Area | 128.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.10117 |
| Heavy Atoms | 24 |
| Complexity | 786.9261 |
Chemical Identifiers
| CAS Number | 72568-55-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)N)C |
Product Overview
ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate (CAS 72568-55-9), with molecular formula C16H15N3O5 and molecular weight 329.10 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
The XLogP value of 2.23958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate. The TPSA of 128.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate is 72568-55-9.
What is the molecular formula of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate is C16H15N3O5.
What is the molecular weight of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate is 329.10 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-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-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.