4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 796079-90-8) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-4-propan-2-yloxycarbonyl-1H-pyrrole-2-carboxylic acid
Also Known As: 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 3,5-dimethyl-4-propan-2-yloxycarbonyl-1H-pyrrole-2-carboxylic acid, 3,5-dimethyl-4-[(propan-2-yloxy)carbonyl]-1H-pyrrole-2-carboxylic acid, 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,4-(1-methylethyl)ester(9CI), 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,4- ester
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.89494 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 431.4381 |
Chemical Identifiers
| CAS Number | 796079-90-8 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O |
Product Overview
4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 796079-90-8), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 3,5-dimethyl-4-propan-2-yloxycarbonyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.89494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-(isopropoxycarbonyl)-3,5-dimethyl-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
Frequently Asked Questions
What is the CAS number of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is 796079-90-8.
What is the molecular formula of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is C11H15NO4.
What is the molecular weight of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is 225.10 g/mol.
Where can I buy 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(isopropoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.