ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
TL;DR: ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 294635-06-6) is a chemical compound with molecular formula C19H19N3O7 and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Also Known As: ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate, (S)-ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate, Ethyl (S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate, ethyl(4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
| Molecular Formula | C19H19N3O7 |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 2.17288 |
| Topological Polar Surface Area | 154.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.1223 |
| Heavy Atoms | 29 |
| Complexity | 943.36633 |
Chemical Identifiers
| CAS Number | 294635-06-6 |
|---|---|
| SMILES | CCOC(=O)CC1=C([C@H](C(=C(O1)N)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC |
Product Overview
ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate (CAS 294635-06-6), with molecular formula C19H19N3O7 and molecular weight 401.12 g/mol. IUPAC: ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
Property Insights of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
The XLogP value of 2.17288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate. The TPSA of 154.78 Ų indicates high polarity, suggesting ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-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 ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 294635-06-6.
What is the molecular formula of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is C19H19N3O7.
What is the molecular weight of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate is 401.12 g/mol.
Where can I buy ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-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 (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.