3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid
TL;DR: 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid (CAS 90564-37-7) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid
Also Known As: BAS 00225329, 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid, 3-acetyl-4-methylpyrrole-2,5-dicarboxylic acid
| Molecular Formula | C9H9NO5 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 0.92212 |
| Topological Polar Surface Area | 107.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 |
| Heavy Atoms | 15 |
| Complexity | 457.31293 |
Chemical Identifiers
| CAS Number | 90564-37-7 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C(=O)O)C(=O)O |
Product Overview
3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid (CAS 90564-37-7), with molecular formula C9H9NO5 and molecular weight 211.05 g/mol. IUPAC: 3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid.
Chemical Property Profile of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid
Property Insights of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid
The XLogP value of 0.92212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid. The TPSA of 107.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid. Following Lipinski's Rule of Five, 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid has 3 hydrogen bond donor(s) and 3 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-methyl-1H-pyrrole-2,5-dicarboxylic acid?
The CAS number of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid is 90564-37-7.
What is the molecular formula of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid?
The molecular formula of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid is C9H9NO5.
What is the molecular weight of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid?
The molecular weight of 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid is 211.05 g/mol.
Where can I buy 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid?
You can request a quote for 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 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-methyl-1H-pyrrole-2,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.