3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline
TL;DR: 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline (CAS 309736-76-3) is a chemical compound with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one
Also Known As: BAS 01029258, 1-(3-(1H-imidazol-1-yl)propyl)-4-acetyl-3-hydroxy-5-(4-nitrophenyl)-1H-pyrrol-2(5H)-one, 3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one, 3-acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline, 4-acetyl-3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C18H18N4O5 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 2.166 |
| Topological Polar Surface Area | 118.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.12772 |
| Heavy Atoms | 27 |
| Complexity | 902.343 |
Chemical Identifiers
| CAS Number | 309736-76-3 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCCN3C=CN=C3)O |
Product Overview
3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline (CAS 309736-76-3), with molecular formula C18H18N4O5 and molecular weight 370.13 g/mol. IUPAC: 3-acetyl-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-nitrophenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline
Property Insights of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline
The XLogP value of 2.166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline. The TPSA of 118.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline. Following Lipinski's Rule of Five, 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline 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 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline?
The CAS number of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline is 309736-76-3.
What is the molecular formula of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline?
The molecular formula of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline is C18H18N4O5.
What is the molecular weight of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline?
The molecular weight of 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline is 370.13 g/mol.
Where can I buy 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline?
You can request a quote for 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-hydroxy-1-(3-imidazolylpropyl)-2-(4-nitrophenyl)-5-oxo-3-pyrroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.