1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 627822-06-4) is a chemical compound with molecular formula C20H22N4O5S and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, VU0605636-1, F3226-1901, 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-2,5-dihydro-1H-pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
| Molecular Formula | C20H22N4O5S |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 2.80804 |
| Topological Polar Surface Area | 116.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1311 |
| Heavy Atoms | 30 |
| Complexity | 1041.9663 |
Chemical Identifiers
| CAS Number | 627822-06-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)[N+](=O)[O-])CCN(C)C)O |
Product Overview
1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 627822-06-4), with molecular formula C20H22N4O5S and molecular weight 430.13 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 2.80804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. The TPSA of 116.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 8 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 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 627822-06-4.
What is the molecular formula of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is C20H22N4O5S.
What is the molecular weight of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one is 430.13 g/mol.
Where can I buy 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-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 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.