1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid
TL;DR: 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid (CAS 59225-10-4) is a chemical compound with molecular formula C15H13NO5 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(carboxymethyl)-1-methylpyrrole-2-carbonyl]benzoic acid
Also Known As: Mecpac, DICARBOXYLIC TOLMETIN, 1-methyl-5-1h-pyrrole-2-aceticacid, 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid, 1-methyl-5- -1H-pyrrole-2-aceticacid
| Molecular Formula | C15H13NO5 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.07938 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 59225-10-4 |
|---|---|
| SMILES | CN1C(=CC=C1C(=O)C2=CC=C(C=C2)C(=O)O)CC(=O)O |
| InChIKey | JARNTMCBHAXPKM-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid (CAS 59225-10-4), with molecular formula C15H13NO5 and molecular weight 287.08 g/mol. IUPAC: 4-[5-(carboxymethyl)-1-methylpyrrole-2-carbonyl]benzoic acid.
Chemical Property Profile of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid
Property Insights of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid. Following Lipinski's Rule of Five, 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid has 2 hydrogen bond donor(s) and 5 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 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid?
The CAS number of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid is 59225-10-4.
What is the molecular formula of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid?
The molecular formula of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid is C15H13NO5.
What is the molecular weight of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid?
The molecular weight of 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid is 287.08 g/mol.
Where can I buy 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid?
You can request a quote for 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-(4-carboxybenzoyl)-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.