2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid
TL;DR: 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid (CAS 613656-68-1) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-phenylpyrrole-3-carboxylic acid
Also Known As: 2,5-dimethyl-1-phenyl-1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-1-phenylpyrrole-3-carboxylic acid, 2,6-dimethylquinoline-4-carbohydrazide, 1-Phenyl-2,5-dimethyl-4-carboxy-pyrrol, 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 613656-68-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)O |
| InChIKey | CIRVCSCFJALBOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid (CAS 613656-68-1), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrrole-3-carboxylic acid.
Chemical Property Profile of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid
Property Insights of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dimethyl-1-phenyl-1H-pyrrole-3-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 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid is 613656-68-1.
What is the molecular formula of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid is C13H13NO2.
What is the molecular weight of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid is 215.09 g/mol.
Where can I buy 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.