(3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid
TL;DR: (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid (CAS 52321-51-4) is a chemical compound with molecular formula C16H15NO2S and molecular weight 285.08234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methyl-2-phenyl-2H-1,3-benzothiazol-5-yl)acetic acid
Also Known As: 3-Methyl-2-phenyl-5-benzothiazolineacetic acid, 5-BENZOTHIAZOLINEACETIC ACID, 3-METHYL-2-PHENYL-, 2,3-Dihydro-3-methyl-2-phenyl-5-benzothiazoleacetic acid, 2-(3-methyl-2-phenyl-2H-1,3-benzothiazol-5-yl)acetic acid, 5-BENZOTHIAZOLINEACETIC ACID,3-METHYL-2-PHENYL
Technical Specifications
| Molecular Formula | C16H15NO2S |
| Molecular Weight | 285.08234 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.08234 Da |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
| SMILES | CN1C(SC2=C1C=C(C=C2)CC(=O)O)C3=CC=CC=C3 |
| InChIKey | OCGNHCSQAXMFEA-UHFFFAOYSA-N |
Chemical Property Profile of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid
Property Insights of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid
The XLogP value of 3.4 indicates that (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid. Following Lipinski's Rule of Five, (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid?
The CAS number of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid is 52321-51-4.
What is the molecular formula of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid?
The molecular formula of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid is C16H15NO2S.
What is the molecular weight of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid?
The molecular weight of (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid is 285.08234 g/mol.
Where can I buy (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid?
You can request a quote for (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.