4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
TL;DR: 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid (CAS 478249-22-8) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
Also Known As: 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid, Bionet2_001195, 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 2.3318 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 363.66486 |
Chemical Identifiers
| CAS Number | 478249-22-8 |
|---|---|
| SMILES | CCC(CC)C(=O)C1=CNC(=C1)C(=O)O |
Product Overview
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid (CAS 478249-22-8), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
Property Insights of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.3318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid is 478249-22-8.
What is the molecular formula of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid is C11H15NO3.
What is the molecular weight of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid is 209.11 g/mol.
Where can I buy 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-(2-ethylbutanoyl)-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-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.