1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one (CAS 615271-99-3) is a chemical compound with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
Also Known As: 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one, 1-(2-diethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one, 1-(2-diethylaminoethyl)-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one, 1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-nitrophenyl)-4-(2-thienylcarbonyl)-3- pyrrolin-2-one, Cambridge id 7102979
| Molecular Formula | C21H23N3O5S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 3.5764 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.13583 |
| Heavy Atoms | 30 |
| Complexity | 982.28784 |
Chemical Identifiers
| CAS Number | 615271-99-3 |
|---|---|
| SMILES | CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one (CAS 615271-99-3), with molecular formula C21H23N3O5S and molecular weight 429.14 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
Chemical Property Profile of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.5764 indicates that 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 7 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-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is 615271-99-3.
What is the molecular formula of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is C21H23N3O5S.
What is the molecular weight of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one is 429.14 g/mol.
Where can I buy 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-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-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.