3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
TL;DR: 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid (CAS 28077-41-0) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-1,3-thiazol-4-yl)benzoic acid
Also Known As: 3-(2-methyl-1,3-thiazol-4-yl)benzoic acid, 3-(2-Methylthiazol-4-yl)benzoic acid, BUTTPARK 98\04-57, SDCCGMLS-0066017.P001, 3-(2-Methylthiazol-4-yl)benzoicacid
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 2.81672 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 504.79395 |
Chemical Identifiers
| CAS Number | 28077-41-0 |
|---|---|
| SMILES | CC1=NC(=CS1)C2=CC(=CC=C2)C(=O)O |
Product Overview
3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid (CAS 28077-41-0), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: 3-(2-methyl-1,3-thiazol-4-yl)benzoic acid.
Chemical Property Profile of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
Property Insights of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
The XLogP value of 2.81672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methyl-1,3-thiazol-4-yl)benzoic 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 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid?
The CAS number of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid is 28077-41-0.
What is the molecular formula of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid?
The molecular formula of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid is C11H9NO2S.
What is the molecular weight of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid?
The molecular weight of 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid is 219.04 g/mol.
Where can I buy 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid?
You can request a quote for 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.