ChemDiv3_002457
TL;DR: ChemDiv3_002457 (CAS 150125-57-8) is a chemical compound with molecular formula C12H10F3N3OS and molecular weight 301.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzothiazol-2-yl)-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
Also Known As: 1-(1,3-benzothiazol-2-yl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol, BRD-A29838765-001-01-0, 1-(benzo[d]thiazol-2-yl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 2-Benzothiazol-2-yl-5-methyl-3-trifluoromethyl-3,4-dihydro-2H-pyrazol-3-ol
Technical Specifications
| Molecular Formula | C12H10F3N3OS |
| Molecular Weight | 301.04968 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.04968 Da |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C2=NC3=CC=CC=C3S2 |
| InChIKey | ZQDYPXIEKQJEOZ-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv3_002457
Property Insights of ChemDiv3_002457
The XLogP value of 3.0 indicates that ChemDiv3_002457 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_002457. Following Lipinski's Rule of Five, ChemDiv3_002457 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ChemDiv3_002457?
The CAS number of ChemDiv3_002457 is 150125-57-8.
What is the molecular formula of ChemDiv3_002457?
The molecular formula of ChemDiv3_002457 is C12H10F3N3OS.
What is the molecular weight of ChemDiv3_002457?
The molecular weight of ChemDiv3_002457 is 301.04968 g/mol.
Where can I buy ChemDiv3_002457?
You can request a quote for ChemDiv3_002457 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv3_002457?
Yes, CoreyChem provides custom synthesis services for ChemDiv3_002457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.