![4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate structure](/static/products/469/469875-70-5.png)
4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate
TL;DR: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate (CAS 469875-70-5) is a chemical compound with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-nitrobenzoate
Also Known As: (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-nitrobenzoate, 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate, methyl (2E)-2-cyano-3-[3-methoxy-4-(4-nitrophenylcarbonyloxy)phenyl]prop-2-eno ate
| Molecular Formula | C19H14N2O7 |
|---|---|
| Molecular Weight | 382.08 g/mol |
| LogP | 2.90258 |
| Topological Polar Surface Area | 128.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.0801 |
| Heavy Atoms | 28 |
| Complexity | 988.33203 |
Chemical Identifiers
| CAS Number | 469875-70-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate (CAS 469875-70-5), with molecular formula C19H14N2O7 and molecular weight 382.08 g/mol. IUPAC: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-nitrobenzoate.
Chemical Property Profile of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate
Property Insights of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate
The XLogP value of 2.90258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate. The TPSA of 128.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate?
The CAS number of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate is 469875-70-5.
What is the molecular formula of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate?
The molecular formula of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate is C19H14N2O7.
What is the molecular weight of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate?
The molecular weight of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate is 382.08 g/mol.
Where can I buy 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate?
You can request a quote for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.