Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618080-57-2) is a chemical compound with molecular formula C27H24N2O7 and molecular weight 488.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
Also Known As: Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C27H24N2O7 |
|---|---|
| Molecular Weight | 488.16 g/mol |
| LogP | 3.5073 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.15836 |
| Heavy Atoms | 36 |
| Complexity | 1333.9879 |
Chemical Identifiers
| CAS Number | 618080-57-2 |
|---|---|
| SMILES | COC1=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)OC |
Product Overview
Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618080-57-2), with molecular formula C27H24N2O7 and molecular weight 488.16 g/mol. IUPAC: methyl 4-[3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.5073 indicates that Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 8 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-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618080-57-2.
What is the molecular formula of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C27H24N2O7.
What is the molecular weight of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 488.16 g/mol.
Where can I buy Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-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-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.