Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
TL;DR: Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- (CAS 104519-28-0) is a chemical compound with molecular formula C16H18ClN3S and molecular weight 319.091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-1,3-benzothiazole
Also Known As: BENZOTHIAZOLE, 2-(4-BUTYL-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-6-CHLORO-, 2-(4'-Butyl-3',5'-dimethylpyrazol-1'-yl)-6-chlorobenzothiazole, 2-(4-Butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-benzothiazole, 2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-chloro-1,3-benzothiazole, 2-(4-Butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-1,3-benzothiazole
Technical Specifications
| Molecular Formula | C16H18ClN3S |
| Molecular Weight | 319.091 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.091 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CCCCC1=C(N(N=C1C)C2=NC3=C(S2)C=C(C=C3)Cl)C |
| InChIKey | DZIRTOUFZBECHD-UHFFFAOYSA-N |
Chemical Property Profile of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
Property Insights of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-
The XLogP value of 6.0 indicates that Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- 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-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-?
The CAS number of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- is 104519-28-0.
What is the molecular formula of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-?
The molecular formula of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- is C16H18ClN3S.
What is the molecular weight of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-?
The molecular weight of Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- is 319.091 g/mol.
Where can I buy Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-?
You can request a quote for Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro-?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.