4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
TL;DR: 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid (CAS 866157-41-7) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid
Also Known As: 4-methyl-3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid, 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid, 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid, 4-methyl-3-pyrrol-1-yl-thiophene-2-carboxylic acid, 4-methyl-3-(pyrrol-1-yl)thiophene-2-carboxylic acid
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.54542 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 456.4303 |
Chemical Identifiers
| CAS Number | 866157-41-7 |
|---|---|
| SMILES | CC1=CSC(=C1N2C=CC=C2)C(=O)O |
Product Overview
4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid (CAS 866157-41-7), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 4-methyl-3-pyrrol-1-ylthiophene-2-carboxylic acid.
Chemical Property Profile of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
Property Insights of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid
The XLogP value of 2.54542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic 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-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid?
The CAS number of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid is 866157-41-7.
What is the molecular formula of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid?
The molecular formula of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid is C10H9NO2S.
What is the molecular weight of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid?
The molecular weight of 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid is 207.04 g/mol.
Where can I buy 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid?
You can request a quote for 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic 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-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.