4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 478249-67-1) is a chemical compound with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
Also Known As: Bionet2_001375, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylicacid, 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxylic acid
| Molecular Formula | C13H9Cl2NO3 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 3.2611 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.99594 |
| Heavy Atoms | 19 |
| Complexity | 676.523 |
Chemical Identifiers
| CAS Number | 478249-67-1 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)O)C(=O)C2=C(C(=CC=C2)Cl)Cl |
Product Overview
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 478249-67-1), with molecular formula C13H9Cl2NO3 and molecular weight 297.00 g/mol. IUPAC: 4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid.
Chemical Property Profile of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 3.2611 indicates that 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid has 1 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-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid is 478249-67-1.
What is the molecular formula of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid is C13H9Cl2NO3.
What is the molecular weight of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid is 297.00 g/mol.
Where can I buy 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-(2,3-dichlorobenzoyl)-1-methyl-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-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.