Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
TL;DR: Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- (CAS 43193-11-9) 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-2-phenylpyrazol-3-yl)-1,3-benzothiazole
Also Known As: Phosphonium,tributyldodecyl-,iodide, 2-(3'-Methyl-1'-phenylpyrazol-5'-yl)benzothiazole, 2-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)benzothiazole, Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-, 2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazole
| Molecular Formula | C17H13N3S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 4.4 |
| 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 | 43193-11-9 |
|---|---|
| SMILES | CC1=NN(C(=C1)C2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
| InChIKey | JRNVYQSQPKFISZ-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- (CAS 43193-11-9), with molecular formula C17H13N3S and molecular weight 291.08 g/mol. IUPAC: 2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
Property Insights of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-
The XLogP value of 4.4 indicates that Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- 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 Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-?
The CAS number of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- is 43193-11-9.
What is the molecular formula of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-?
The molecular formula of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- is C17H13N3S.
What is the molecular weight of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-?
The molecular weight of Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- is 291.08 g/mol.
Where can I buy Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-?
You can request a quote for Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(3-methyl-1-phenyl-1H-pyrazol-5-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.