![methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/496/496798-29-9.png)
methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 496798-29-9) is a chemical compound with molecular formula C24H22ClNO6 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxo-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxo-1-(tetrahydrofuran-2-ylmethyl)pyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxo-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C24H22ClNO6 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 3.7273 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.11356 |
| Heavy Atoms | 32 |
| Complexity | 1070.6732 |
Chemical Identifiers
| CAS Number | 496798-29-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CC4CCCO4 |
Product Overview
methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 496798-29-9), with molecular formula C24H22ClNO6 and molecular weight 455.11 g/mol. IUPAC: methyl 4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxo-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 3.7273 indicates that methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-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 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-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-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 496798-29-9.
What is the molecular formula of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C24H22ClNO6.
What is the molecular weight of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 455.11 g/mol.
Where can I buy methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-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-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-1-[(oxolan-2-yl)methyl]-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.