![methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate structure](/static/products/2590/259089-87-7.webp)
methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
TL;DR: methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate (CAS 259089-87-7) is a chemical compound with molecular formula C21H15ClFNO3 and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate
Also Known As: methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate, Methyl 5-[3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate, methyl 5-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate
| Molecular Formula | C21H15ClFNO3 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 4.9525 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.07245 |
| Heavy Atoms | 27 |
| Complexity | 1004.9109 |
Chemical Identifiers
| CAS Number | 259089-87-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(N1C2=CC=C(C=C2)F)C=CC(=O)C3=CC=C(C=C3)Cl |
Product Overview
methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate (CAS 259089-87-7), with molecular formula C21H15ClFNO3 and molecular weight 383.07 g/mol. IUPAC: methyl 5-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-(4-fluorophenyl)pyrrole-2-carboxylate.
Chemical Property Profile of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
Property Insights of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate
The XLogP value of 4.9525 indicates that methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate has 0 hydrogen bond donor(s) and 3 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-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The CAS number of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is 259089-87-7.
What is the molecular formula of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The molecular formula of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is C21H15ClFNO3.
What is the molecular weight of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
The molecular weight of methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate is 383.07 g/mol.
Where can I buy methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
You can request a quote for methyl 5-[3-(4-chlorophenyl)-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-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-1-(4-fluorophenyl)-1H-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.