3-Bromo-5-methylthiophene-2-carboxylic acid
TL;DR: 3-Bromo-5-methylthiophene-2-carboxylic acid (CAS 61285-29-8) is a chemical compound with molecular formula C6H5BrO2S and molecular weight 219.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-methylthiophene-2-carboxylic acid
Also Known As: 3-bromo-5-methylthiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, 3-bromo-5-methyl-, 3-Bromo-5-methyl-2-thiophenecarboxylic acid, 3-bromo-5-methyl-thiophene-2-carboxylic Acid, 3-Brom-5-methyl-2-thiophencarbonsaeure
| Molecular Formula | C6H5BrO2S |
|---|---|
| Molecular Weight | 219.92 g/mol |
| LogP | 2.51722 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.91936 |
| Heavy Atoms | 10 |
| Complexity | 266.71158 |
Chemical Identifiers
| CAS Number | 61285-29-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)C(=O)O)Br |
Product Overview
3-Bromo-5-methylthiophene-2-carboxylic acid (CAS 61285-29-8), with molecular formula C6H5BrO2S and molecular weight 219.92 g/mol. IUPAC: 3-bromo-5-methylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-Bromo-5-methylthiophene-2-carboxylic acid
Property Insights of 3-Bromo-5-methylthiophene-2-carboxylic acid
The XLogP value of 2.51722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-methylthiophene-2-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromo-5-methylthiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-methylthiophene-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-Bromo-5-methylthiophene-2-carboxylic acid?
The CAS number of 3-Bromo-5-methylthiophene-2-carboxylic acid is 61285-29-8.
What is the molecular formula of 3-Bromo-5-methylthiophene-2-carboxylic acid?
The molecular formula of 3-Bromo-5-methylthiophene-2-carboxylic acid is C6H5BrO2S.
What is the molecular weight of 3-Bromo-5-methylthiophene-2-carboxylic acid?
The molecular weight of 3-Bromo-5-methylthiophene-2-carboxylic acid is 219.92 g/mol.
Where can I buy 3-Bromo-5-methylthiophene-2-carboxylic acid?
You can request a quote for 3-Bromo-5-methylthiophene-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-Bromo-5-methylthiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-methylthiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.