![Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate structure](/static/products/3560/356086-90-3.webp)
Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate
TL;DR: Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate (CAS 356086-90-3) is a chemical compound with molecular formula C17H15ClFNO3 and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
Also Known As: Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate, methyl 4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
| Molecular Formula | C17H15ClFNO3 |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 3.3377 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07245 |
| Heavy Atoms | 23 |
| Complexity | 731.95544 |
Chemical Identifiers
| CAS Number | 356086-90-3 |
|---|---|
| SMILES | CC1=C(C(=CC2=C(C=CC=C2Cl)F)C(=O)N1CC=C)C(=O)OC |
Product Overview
Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate (CAS 356086-90-3), with molecular formula C17H15ClFNO3 and molecular weight 335.07 g/mol. IUPAC: methyl 4-[(2-chloro-6-fluorophenyl)methylidene]-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate.
Chemical Property Profile of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate
Property Insights of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.3377 indicates that Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate 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 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate?
The CAS number of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate is 356086-90-3.
What is the molecular formula of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate?
The molecular formula of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate is C17H15ClFNO3.
What is the molecular weight of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate?
The molecular weight of Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate is 335.07 g/mol.
Where can I buy Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate?
You can request a quote for Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-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 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2-chloro-6-fluorophenyl)methylene]-4,5-dihydro-2-methyl-5-oxo-1-(2-propen-1-yl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.