4-butyryl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-butyryl-1H-pyrrole-2-carboxylic acid (CAS 111468-95-2) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butanoyl-1H-pyrrole-2-carboxylic acid
Also Known As: 4-butyryl-1H-pyrrole-2-carboxylic acid, 4-butanoyl-1H-pyrrole-2-carboxylic Acid, butyrylpyrrolecarboxylicacid, 4-butanoylpyrrole-2-carboxylic acid, 4-butyryl-1H-pyrrole-2-carboxylicacid
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.6957 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 327.35574 |
Chemical Identifiers
| CAS Number | 111468-95-2 |
|---|---|
| SMILES | CCCC(=O)C1=CNC(=C1)C(=O)O |
Product Overview
4-butyryl-1H-pyrrole-2-carboxylic acid (CAS 111468-95-2), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 4-butanoyl-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 4-butyryl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-butyryl-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.6957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butyryl-1H-pyrrole-2-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyryl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-butyryl-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-butyryl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-butyryl-1H-pyrrole-2-carboxylic acid is 111468-95-2.
What is the molecular formula of 4-butyryl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-butyryl-1H-pyrrole-2-carboxylic acid is C9H11NO3.
What is the molecular weight of 4-butyryl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-butyryl-1H-pyrrole-2-carboxylic acid is 181.07 g/mol.
Where can I buy 4-butyryl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-butyryl-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-butyryl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-butyryl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.