2-(5-Methyl-3-phenylpyrazolyl)benzothiazole
TL;DR: 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole (CAS 311812-64-3) is a chemical compound with molecular formula C17H13N3S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-phenylpyrazol-1-yl)-1,3-benzothiazole
Also Known As: 2-(5-methyl-3-phenylpyrazolyl)benzothiazole, 2-(5-methyl-3-phenylpyrazol-1-yl)-1,3-benzothiazole, 2-(5-methyl-3-phenyl-1H-pyrazol-1-yl)-1,3-benzothiazole, 2-(5-methyl-3-phenyl-1H-pyrazol-1-yl)benzo[d]thiazole, A1792/0075940
| Molecular Formula | C17H13N3S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.083 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 311812-64-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
| InChIKey | MZRYOCBYZQCKQW-UHFFFAOYSA-N |
Product Overview
2-(5-Methyl-3-phenylpyrazolyl)benzothiazole (CAS 311812-64-3), with molecular formula C17H13N3S and molecular weight 291.08 g/mol. IUPAC: 2-(5-methyl-3-phenylpyrazol-1-yl)-1,3-benzothiazole.
Chemical Property Profile of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole
Property Insights of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole
The XLogP value of 4.7 indicates that 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole has 0 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-(5-Methyl-3-phenylpyrazolyl)benzothiazole?
The CAS number of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole is 311812-64-3.
What is the molecular formula of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole?
The molecular formula of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole is C17H13N3S.
What is the molecular weight of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole?
The molecular weight of 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole is 291.08 g/mol.
Where can I buy 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole?
You can request a quote for 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methyl-3-phenylpyrazolyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.