2-Bromothiazole-5-carboxylic acid
TL;DR: 2-Bromothiazole-5-carboxylic acid (CAS 54045-74-8) is a chemical compound with molecular formula C4H2BrNO2S and molecular weight 206.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3-thiazole-5-carboxylic acid
Also Known As: 2-Bromothiazole-5-carboxylic acid, 2-Bromo-5-thiazolecarboxylic acid, 2-bromo-1,3-thiazole-5-carboxylic Acid, 10-hydroxycodeine, 5-Thiazolecarboxylic acid, 2-bromo-
| Molecular Formula | C4H2BrNO2S |
|---|---|
| Molecular Weight | 206.90 g/mol |
| LogP | 1.6038 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.89896 |
| Heavy Atoms | 9 |
| Complexity | 234.22644 |
Chemical Identifiers
| CAS Number | 54045-74-8 |
|---|---|
| SMILES | C1=C(SC(=N1)Br)C(=O)O |
Product Overview
2-Bromothiazole-5-carboxylic acid (CAS 54045-74-8), with molecular formula C4H2BrNO2S and molecular weight 206.90 g/mol. IUPAC: 2-bromo-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 2-Bromothiazole-5-carboxylic acid
Property Insights of 2-Bromothiazole-5-carboxylic acid
The XLogP value of 1.6038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromothiazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Bromothiazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromothiazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 2-Bromothiazole-5-carboxylic acid?
The CAS number of 2-Bromothiazole-5-carboxylic acid is 54045-74-8.
What is the molecular formula of 2-Bromothiazole-5-carboxylic acid?
The molecular formula of 2-Bromothiazole-5-carboxylic acid is C4H2BrNO2S.
What is the molecular weight of 2-Bromothiazole-5-carboxylic acid?
The molecular weight of 2-Bromothiazole-5-carboxylic acid is 206.90 g/mol.
Where can I buy 2-Bromothiazole-5-carboxylic acid?
You can request a quote for 2-Bromothiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromothiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.