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 250.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C5H2BrNO4S |
|---|---|
| Molecular Weight | 250.89 g/mol |
| LogP | 2.117 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.8888 |
| Heavy Atoms | 12 |
| Complexity | 315.71747 |
Chemical Identifiers
| CAS Number | 101079-65-6 |
|---|---|
| SMILES | C1=C(C(=C(S1)[N+](=O)[O-])Br)C(=O)O |
Product Overview
4-Bromo-5-nitro-3-thiophenecarboxylic acid (CAS 101079-65-6), with molecular formula C5H2BrNO4S and molecular weight 250.89 g/mol. IUPAC: 4-bromo-5-nitrothiophene-3-carboxylic acid.
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 2.117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-nitro-3-thiophenecarboxylic acid. The TPSA of 80.44 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 4 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-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 250.89 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-nitro-3-thiophenecarboxylic acid?
Yes, KEHONG BIO 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.