3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid (CAS 690990-60-4) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
Also Known As: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid, AN-648/25106048, 3- -4,5-DIMETHYLTHIOPHENE-2-CARBOXYLICACID, 3-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid, 3-(2,5-dimethylpyrrolyl)-4,5-dimethylthiophene-2-carboxylic acid
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 690990-60-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC(=C2C)C)C(=O)O)C |
| InChIKey | FJEQPPDVCVKRQF-UHFFFAOYSA-N |
Product Overview
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid (CAS 690990-60-4), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid
The XLogP value of 3.4 indicates that 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid is 690990-60-4.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid is C13H15NO2S.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid is 249.08 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.