4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid
TL;DR: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid (CAS 439111-53-2) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic acid
Also Known As: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid, 4-[4-(tert-butyl)benzoyl]-1H-pyrrole-2-carboxylic acid, 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylicAcid, 4-(4-tert-butylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid, 4-[(4-tert-butylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 3.2414 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 645.1067 |
Chemical Identifiers
| CAS Number | 439111-53-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O |
Product Overview
4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid (CAS 439111-53-2), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid
Property Insights of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid
The XLogP value of 3.2414 indicates that 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid. Following Lipinski's Rule of Five, 4-(4-tert-butylbenzoyl)-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-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid?
The CAS number of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid is 439111-53-2.
What is the molecular formula of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid?
The molecular formula of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid is C16H17NO3.
What is the molecular weight of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid?
The molecular weight of 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid is 271.12 g/mol.
Where can I buy 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid?
You can request a quote for 4-(4-tert-butylbenzoyl)-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-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-butylbenzoyl)-1H-pyrrole-2-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.