2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
TL;DR: 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 890082-07-2) is a chemical compound with molecular formula C11H9BrN2O2S and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-(4-bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid, 2-((4-Bromophenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid, 2-[(4-bromophenyl)amino]-4-methyl-1,3-thiazole-5-carboxylic Acid, 2-(4-bromoanilino)-4-methyl-thiazole-5-carboxylic acid, 2-((4-Bromophenyl)amino)-4-methyl-1,3-thiazole-5-carboxylic acid, 95%
| Molecular Formula | C11H9BrN2O2S |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 3.65582 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.95682 |
| Heavy Atoms | 17 |
| Complexity | 551.0991 |
Chemical Identifiers
| CAS Number | 890082-07-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC2=CC=C(C=C2)Br)C(=O)O |
Product Overview
2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 890082-07-2), with molecular formula C11H9BrN2O2S and molecular weight 311.96 g/mol. IUPAC: 2-(4-bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
Property Insights of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
The XLogP value of 3.65582 indicates that 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid has 2 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 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The CAS number of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is 890082-07-2.
What is the molecular formula of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular formula of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is C11H9BrN2O2S.
What is the molecular weight of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular weight of 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is 311.96 g/mol.
Where can I buy 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
You can request a quote for 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-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-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromoanilino)-4-methyl-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.