4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 618878-61-8) is a chemical compound with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione, 4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-(2-pyridyl)-1-(3-pyridylmethyl)-3-pyr rolin-2-one
| Molecular Formula | C22H16ClN3O3 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 3.7519 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.088 |
| Heavy Atoms | 29 |
| Complexity | 1083.3049 |
Chemical Identifiers
| CAS Number | 618878-61-8 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CC4=CN=CC=C4 |
Product Overview
4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one (CAS 618878-61-8), with molecular formula C22H16ClN3O3 and molecular weight 405.09 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-pyridin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.7519 indicates that 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 5 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 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is 618878-61-8.
What is the molecular formula of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is C22H16ClN3O3.
What is the molecular weight of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one is 405.09 g/mol.
Where can I buy 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorobenzoyl)-3-hydroxy-5-(pyridin-2-yl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.