3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid
TL;DR: 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid (CAS 111011-03-1) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic acid
Also Known As: 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid, 4-Isobutyryl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 1H-PYRROLE-2-CARBOXYLIC ACID, 3,5-DIMETHYL-4-NITROSO-,ETHYLESTER, 1H-Pyrrole-2-carboxylicacid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)-, 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(2-methyl-1-oxopropyl)- (9CI)
Technical Specifications
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.1052 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1052 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | CC1=C(NC(=C1C(=O)C(C)C)C)C(=O)O |
| InChIKey | IRXBKLCZUFUTBK-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid
Property Insights of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid. Following Lipinski's Rule of Five, 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid?
The CAS number of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid is 111011-03-1.
What is the molecular formula of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid?
The molecular formula of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid is C11H15NO3.
What is the molecular weight of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid?
The molecular weight of 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid is 209.1052 g/mol.
Where can I buy 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid?
You can request a quote for 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid?
Yes, CoreyChem provides custom synthesis services for 3,5-dimethyl-4-(2-methylpropanoyl)-1H-pyrrole-2-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.