3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid
TL;DR: 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid (CAS 477888-48-5) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylic acid
Also Known As: Pyrrothiogatain, 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylic acid, 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylic Acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylicacid
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.85384 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 490.89017 |
Chemical Identifiers
| CAS Number | 477888-48-5 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C(=O)O)C |
Product Overview
3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid (CAS 477888-48-5), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylic acid.
Chemical Property Profile of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid
Property Insights of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid
The XLogP value of 2.85384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic 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 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid?
The CAS number of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid is 477888-48-5.
What is the molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid?
The molecular formula of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid is C11H11NO2S.
What is the molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid?
The molecular weight of 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid is 221.05 g/mol.
Where can I buy 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid?
You can request a quote for 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-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)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.