4-methyl-3-(1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid (CAS 1008003-22-2) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-pyrrol-1-ylbenzoic acid
Also Known As: 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid, 4-Methyl-3-pyrrol-1-yl-benzoic acid, 4-methyl-3-pyrrol-1-ylbenzoic acid, 3-Isopropylbenzoic acid, TimTec1_007649
Technical Specifications
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.07898 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C=CC=C2 |
| InChIKey | OFNPBYYSTKWMRV-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3-(1H-pyrrol-1-yl)benzoic 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
What is the CAS number of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid is 1008003-22-2.
What is the molecular formula of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid is C12H11NO2.
What is the molecular weight of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid is 201.07898 g/mol.
Where can I buy 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-methyl-3-(1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.