2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
TL;DR: 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 6302-96-1) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
Also Known As: 2-methyl-5-phenyl-1h-pyrrole-3-carboxylic acid, 2-Methyl-5-phenyl-pyrrol-3-carbonsaeure, 2-methyl-5-phenyl-1h-pyrrole-3-carboxylicacid, 5-Phenyl-2-methyl-1H-pyrrole-3-carboxylic acid, 1H-Pyrrole-3-carboxylicacid, 2-methyl-5-phenyl-
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6302-96-1 |
|---|---|
| SMILES | CC1=C(C=C(N1)C2=CC=CC=C2)C(=O)O |
| InChIKey | XDXKXRVCTYULQN-UHFFFAOYSA-N |
Product Overview
2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 6302-96-1), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
Property Insights of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-5-phenyl-1H-pyrrole-3-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 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 6302-96-1.
What is the molecular formula of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is C12H11NO2.
What is the molecular weight of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 201.08 g/mol.
Where can I buy 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 2-methyl-5-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-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.