methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 853753-25-0) is a chemical compound with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[4,5-dioxo-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[4,5-dioxo-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-[4,5-dioxo-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{[4-hydroxy-5-oxo-2-(4-pyridyl)-1-(3-pyridylmethyl)(3-pyrrolin-3-yl)] carbonyl}-3,5-dimethylpyrrole-2-carboxylate
| Molecular Formula | C24H22N4O5 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 2.83004 |
| Topological Polar Surface Area | 125.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.15903 |
| Heavy Atoms | 33 |
| Complexity | 1264.7665 |
Chemical Identifiers
| CAS Number | 853753-25-0 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=NC=C4)/O)C)C(=O)OC |
Product Overview
methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 853753-25-0), with molecular formula C24H22N4O5 and molecular weight 446.16 g/mol. IUPAC: methyl 4-[(E)-[4,5-dioxo-2-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.83004 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 125.48 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 7 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-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 853753-25-0.
What is the molecular formula of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C24H22N4O5.
What is the molecular weight of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 446.16 g/mol.
Where can I buy methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-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-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.