4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one (CAS 636992-23-9) is a chemical compound with molecular formula C21H23ClN2O4S and molecular weight 434.11 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-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
Also Known As: 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione
| Molecular Formula | C21H23ClN2O4S |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 3.7835 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.10672 |
| Heavy Atoms | 29 |
| Complexity | 940.16266 |
Chemical Identifiers
| CAS Number | 636992-23-9 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)Cl)\O)/C(=O)C1=O)C3=CC=CS3 |
Product Overview
4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one (CAS 636992-23-9), with molecular formula C21H23ClN2O4S and molecular weight 434.11 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione.
Chemical Property Profile of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.7835 indicates that 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-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-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is 636992-23-9.
What is the molecular formula of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is C21H23ClN2O4S.
What is the molecular weight of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one is 434.11 g/mol.
Where can I buy 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-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-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.