3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid
TL;DR: 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid (CAS 33369-45-8) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-1,4-dimethylpyrrole-3-carboxylic acid
Also Known As: 3-Isopropylphenol, 3-Carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid, 2-(carboxymethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid, 2-(carboxymethyl)-1,4-dimethylpyrrole-3-carboxylic acid, 1h-pyrrole-2-acetic acid, 3-carboxy-1,4-dimethyl-
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 33369-45-8 |
|---|---|
| SMILES | CC1=CN(C(=C1C(=O)O)CC(=O)O)C |
| InChIKey | FASPXTNRUAOAGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid (CAS 33369-45-8), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: 2-(carboxymethyl)-1,4-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid
Property Insights of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid. Following Lipinski's Rule of Five, 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid has 2 hydrogen bond donor(s) and 4 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 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The CAS number of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid is 33369-45-8.
What is the molecular formula of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The molecular formula of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid is C9H11NO4.
What is the molecular weight of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid?
The molecular weight of 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid is 197.07 g/mol.
Where can I buy 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid?
You can request a quote for 3-carboxy-1,4-dimethyl-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 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-carboxy-1,4-dimethyl-1H-pyrrole-2-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.