![3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid structure](/static/products/4254/425413-75-8.webp)
3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid
TL;DR: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid (CAS 425413-75-8) is a chemical compound with molecular formula C21H19NO7 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
Also Known As: AB00103213-01, 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid, 3-(3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid, 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid
| Molecular Formula | C21H19NO7 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.891 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.11615 |
| Heavy Atoms | 29 |
| Complexity | 1041.0752 |
Chemical Identifiers
| CAS Number | 425413-75-8 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C(=O)O)O |
Product Overview
3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid (CAS 425413-75-8), with molecular formula C21H19NO7 and molecular weight 397.12 g/mol. IUPAC: 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid
Property Insights of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid
The XLogP value of 2.891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid. Following Lipinski's Rule of Five, 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid has 2 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-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid?
The CAS number of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid is 425413-75-8.
What is the molecular formula of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid?
The molecular formula of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid is C21H19NO7.
What is the molecular weight of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid?
The molecular weight of 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid is 397.12 g/mol.
Where can I buy 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid?
You can request a quote for 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic 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-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.