2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid
TL;DR: 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 876715-98-9) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-methyl-1,3-thiazole-5-carboxylic acid
Also Known As: 2-benzyl-4-methyl-1,3-thiazole-5-carboxylic acid, 2-Benzyl-4-methyl-thiazole-5-carboxylic acid, 2-BENZYL-4-METHYLTHIAZOLE-5-CARBOXYLIC ACID, BAS 10145888, 2-Benzyl-4-methylthiazole-5-carboylic acid
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.74052 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 504.99225 |
Chemical Identifiers
| CAS Number | 876715-98-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)O |
Product Overview
2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 876715-98-9), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: 2-benzyl-4-methyl-1,3-thiazole-5-carboxylic acid.
Chemical Property Profile of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid
Property Insights of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid
The XLogP value of 2.74052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-methyl-1,3-thiazole-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-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The CAS number of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid is 876715-98-9.
What is the molecular formula of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular formula of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid is C12H11NO2S.
What is the molecular weight of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid?
The molecular weight of 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid is 233.05 g/mol.
Where can I buy 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid?
You can request a quote for 2-Benzyl-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-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-methyl-1,3-thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.