4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 15898-26-7) 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.
4-(2,5-dimethylpyrrol-1-yl)benzoic acid
Also Known As: 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid, 4-(2,5-dimethylpyrrol-1-yl)benzoic acid, 1,3-Dibromoacetone, 4-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid, Maybridge1_006578
| 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 | 249.0 |
Chemical Identifiers
| CAS Number | 15898-26-7 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C |
| InChIKey | WNZAIUIEXCYTCY-UHFFFAOYSA-N |
Product Overview
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid (CAS 15898-26-7), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethyl-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-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid is 15898-26-7.
What is the molecular formula of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid is C13H13NO2.
What is the molecular weight of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid is 215.09 g/mol.
Where can I buy 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-(2,5-Dimethyl-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-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.