![methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate structure](/static/products/2590/259089-86-6.webp)
methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
TL;DR: methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate (CAS 259089-86-6) is a chemical compound with molecular formula C22H15FN2O3 and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate
Also Known As: methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate, Methyl 5-[3-(4-cyanophenyl)-3-oxo-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate, methyl 5-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate
| Molecular Formula | C22H15FN2O3 |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 4.17078 |
| Topological Polar Surface Area | 72.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.10666 |
| Heavy Atoms | 28 |
| Complexity | 1088.3057 |
Chemical Identifiers
| CAS Number | 259089-86-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)C=CC(=O)C3=CC=C(C=C3)C#N |
Product Overview
methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate (CAS 259089-86-6), with molecular formula C22H15FN2O3 and molecular weight 374.11 g/mol. IUPAC: methyl 5-[3-(4-cyanophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate.
Chemical Property Profile of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
Property Insights of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
The XLogP value of 4.17078 indicates that methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.09 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate. Following Lipinski's Rule of Five, methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate has 0 hydrogen bond donor(s) and 4 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 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The CAS number of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is 259089-86-6.
What is the molecular formula of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The molecular formula of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is C22H15FN2O3.
What is the molecular weight of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The molecular weight of methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is 374.11 g/mol.
Where can I buy methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
You can request a quote for methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[3-(4-cyanophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.