5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one
TL;DR: 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one (CAS 627471-63-0) is a chemical compound with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
Also Known As: 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one, F3226-2211, (4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione, 5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-4-(pyridine-4-carbonyl)-2,5-dihydro-1H-pyrrol-2-one, (4Z)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
| Molecular Formula | C21H22ClN3O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.1084 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.13498 |
| Heavy Atoms | 28 |
| Complexity | 894.87164 |
Chemical Identifiers
| CAS Number | 627471-63-0 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=NC=C2)\O)/C(=O)C1=O)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one (CAS 627471-63-0), with molecular formula C21H22ClN3O3 and molecular weight 399.13 g/mol. IUPAC: (4E)-5-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one
Property Insights of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one
The XLogP value of 3.1084 indicates that 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-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 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one?
The CAS number of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one is 627471-63-0.
What is the molecular formula of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one?
The molecular formula of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one is C21H22ClN3O3.
What is the molecular weight of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one?
The molecular weight of 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one is 399.13 g/mol.
Where can I buy 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one?
You can request a quote for 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-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 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-isonicotinoyl-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.