![3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid structure](/static/products/940/94004-77-0.png)
3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
TL;DR: 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid (CAS 94004-77-0) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid
Also Known As: 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid, 3403AE, BAS 02323368, 2-CHLORO-3-ACETAMIDOBENZOFURAN, 3-(3-Acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.5691 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 702.6242 |
Chemical Identifiers
| CAS Number | 94004-77-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)C |
Product Overview
3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid (CAS 94004-77-0), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid.
Chemical Property Profile of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Property Insights of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
The XLogP value of 2.5691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid. Following Lipinski's Rule of Five, 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid has 2 hydrogen bond donor(s) and 4 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-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid?
The CAS number of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid is 94004-77-0.
What is the molecular formula of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid?
The molecular formula of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid is C18H21NO5.
What is the molecular weight of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid?
The molecular weight of 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid is 331.14 g/mol.
Where can I buy 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid?
You can request a quote for 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.