3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
TL;DR: 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid (CAS 863669-01-6) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
Also Known As: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid, 3-(Benzo[d]thiazol-2-yl)-2-methyl-2-phenylpropanoic acid, AB01320543-02, 3-(2-Benzothiazolyl)-2-methyl-2-phenylpropanoic Acid, 3-benzothiazol-2-yl-2-methyl-2-phenyl-propanoic Acid
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.8813 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 748.5991 |
Chemical Identifiers
| CAS Number | 863669-01-6 |
|---|---|
| SMILES | CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)O |
Product Overview
3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid (CAS 863669-01-6), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
Property Insights of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid
The XLogP value of 3.8813 indicates that 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic 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-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid is 863669-01-6.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid is C17H15NO2S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid is 297.08 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.