![ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] structure](/static/products/534/53413-63-1.png)
ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]
TL;DR: ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] (CAS 53413-63-1) is a chemical compound with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl], ethyl 2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate
| Molecular Formula | C19H19N3O6 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.12738 |
| Heavy Atoms | 28 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 53413-63-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CN1CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N |
| InChIKey | XIFWRKPYDFIVQO-UHFFFAOYSA-N |
Product Overview
ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] (CAS 53413-63-1), with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol. IUPAC: ethyl 2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrol-2-yl]prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]
Property Insights of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] has 0 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 (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]?
The CAS number of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] is 53413-63-1.
What is the molecular formula of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]?
The molecular formula of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] is C19H19N3O6.
What is the molecular weight of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]?
The molecular weight of ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] is 385.13 g/mol.
Where can I buy ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]?
You can request a quote for ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl]?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-[1-[(4,5-dimethoxy-2-nitrophenyl)methyl] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.