![methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate structure](/static/products/6563/6563-71-9.webp)
methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
TL;DR: methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate (CAS 6563-71-9) is a chemical compound with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
Also Known As: methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
| Molecular Formula | C17H16N2O5 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.4534 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.10593 |
| Heavy Atoms | 24 |
| Complexity | 774.6756 |
Chemical Identifiers
| CAS Number | 6563-71-9 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1CC=C)C(=O)OC |
Product Overview
methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate (CAS 6563-71-9), with molecular formula C17H16N2O5 and molecular weight 328.11 g/mol. IUPAC: methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
Property Insights of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
The XLogP value of 2.4534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate?
The CAS number of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate is 6563-71-9.
What is the molecular formula of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate is C17H16N2O5.
What is the molecular weight of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate is 328.11 g/mol.
Where can I buy methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-prop-2-enylpyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.