4-Bromo-5-nitro-3-thiophenecarboxylic acid
TL;DR: 4-Bromo-5-nitro-3-thiophenecarboxylic acid (CAS 101079-65-6) is a chemical compound with molecular formula C5H2BrNO4S and molecular weight 250.8888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-5-nitrothiophene-3-carboxylic acid
Also Known As: 4-bromo-5-nitro-3-thiophenecarboxylicacid, 4-bromo-5-nitro-3-thiophenecarboxylic acid, 4-bromo-5-nitro-thiophene-3-carboxylic Acid, AP-836/41220395
Technical Specifications
| Molecular Formula | C5H2BrNO4S |
| Molecular Weight | 250.8888 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.8888 Da |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
| SMILES | C1=C(C(=C(S1)[N+](=O)[O-])Br)C(=O)O |
| InChIKey | GDPTZGOFQIFHSK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-5-nitro-3-thiophenecarboxylic acid
Property Insights of 4-Bromo-5-nitro-3-thiophenecarboxylic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-nitro-3-thiophenecarboxylic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-5-nitro-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 4-Bromo-5-nitro-3-thiophenecarboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
The CAS number of 4-Bromo-5-nitro-3-thiophenecarboxylic acid is 101079-65-6.
What is the molecular formula of 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
The molecular formula of 4-Bromo-5-nitro-3-thiophenecarboxylic acid is C5H2BrNO4S.
What is the molecular weight of 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
The molecular weight of 4-Bromo-5-nitro-3-thiophenecarboxylic acid is 250.8888 g/mol.
Where can I buy 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
You can request a quote for 4-Bromo-5-nitro-3-thiophenecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-5-nitro-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.