5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid
TL;DR: 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid (CAS 30321-94-9) is a chemical compound with molecular formula C6H5BrN2O4S and molecular weight 279.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid
Also Known As: 2-Methylsulfonyl-5-bromopyrimidine-4-carboxylic acid, 5-bromo-2-(methylsulfonyl)pyrimidine-4-carboxylic acid, 6-acetamidochroman-4-one, 5-bromo-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid, 5-bromo-2-methanesulfonylpyrimidine-4-carboxylic acid
| Molecular Formula | C6H5BrN2O4S |
|---|---|
| Molecular Weight | 279.92 g/mol |
| LogP | 0.3408 |
| Topological Polar Surface Area | 97.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.91534 |
| Heavy Atoms | 14 |
| Complexity | 484.60492 |
Chemical Identifiers
| CAS Number | 30321-94-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=C(C(=N1)C(=O)O)Br |
Product Overview
5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid (CAS 30321-94-9), with molecular formula C6H5BrN2O4S and molecular weight 279.92 g/mol. IUPAC: 5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid.
Chemical Property Profile of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid
Property Insights of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid
The XLogP value of 0.3408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid. The TPSA of 97.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic 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
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid?
The CAS number of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid is 30321-94-9.
What is the molecular formula of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid?
The molecular formula of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid is C6H5BrN2O4S.
What is the molecular weight of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid?
The molecular weight of 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid is 279.92 g/mol.
Where can I buy 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid?
You can request a quote for 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methanesulfonylpyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.