4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid (CAS 31504-14-0) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Also Known As: 4-methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid, Benzoic acid, 4-methyl-3-(2-methyl-5-phenylpyrrol-1-yl)-, 4-Methyl-3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid, p-Toluic acid, 3-(2-methyl-5-phenylpyrrol-1-yl)-, AM-879/13272053
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 31504-14-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=CC=C2C3=CC=CC=C3)C |
| InChIKey | OIGYXRNIUFONEU-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid (CAS 31504-14-0), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: 4-methyl-3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 4.3 indicates that 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 4-Methyl-3-(2-methyl-5-phenyl-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-(2-methyl-5-phenyl-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
Frequently Asked Questions
What is the CAS number of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid is 31504-14-0.
What is the molecular formula of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid is C19H17NO2.
What is the molecular weight of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid is 291.13 g/mol.
Where can I buy 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.