![methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/6180/618075-99-3.webp)
methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 618075-99-3) is a chemical compound with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C26H21FN2O5 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 3.93762 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.14346 |
| Heavy Atoms | 34 |
| Complexity | 1302.5261 |
Chemical Identifiers
| CAS Number | 618075-99-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)OC)O)F |
Product Overview
methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 618075-99-3), with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol. IUPAC: methyl 4-[3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 3.93762 indicates that methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 6 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-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 618075-99-3.
What is the molecular formula of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C26H21FN2O5.
What is the molecular weight of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 460.14 g/mol.
Where can I buy methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.