4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one (CAS 636992-05-7) is a chemical compound with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
Also Known As: 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one, F1525-0807, 4-(3-chloro-4-methoxybenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(pyridin-4-yl)-2,5-dihydro-1H-pyrrol-2-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione
| Molecular Formula | C21H22ClN3O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 2.7269 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.12988 |
| Heavy Atoms | 29 |
| Complexity | 959.6535 |
Chemical Identifiers
| CAS Number | 636992-05-7 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)Cl)\O)/C(=O)C1=O)C3=CC=NC=C3 |
Product Overview
4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one (CAS 636992-05-7), with molecular formula C21H22ClN3O4 and molecular weight 415.13 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 2.7269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one 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 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one is 636992-05-7.
What is the molecular formula of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one is C21H22ClN3O4.
What is the molecular weight of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one is 415.13 g/mol.
Where can I buy 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-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-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-4-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.