Tak 187
TL;DR: Tak 187 (CAS 155432-64-7) is a chemical compound with molecular formula C23H20F6N6O3 and molecular weight 542.1501 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
Also Known As: Tak 187, 2-(2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4-(4-(2,2,3,3-tetrafluoropropoxy)phenyl)-3(2H,4H)-1,2,4-triazolone, 2-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,2,4-triazol-3-one
Technical Specifications
| Molecular Formula | C23H20F6N6O3 |
| Molecular Weight | 542.1501 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 96.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.1501 Da |
| Heavy Atoms | 38 |
| Complexity | 850.0 |
| SMILES | CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C(=O)N(C=N3)C4=CC=C(C=C4)OCC(C(F)F)(F)F |
| InChIKey | CBHTUKXHISWMTH-UHFFFAOYSA-N |
Chemical Property Profile of Tak 187
Property Insights of Tak 187
The XLogP value of 3.6 indicates that Tak 187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tak 187. Following Lipinski's Rule of Five, Tak 187 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tak 187?
The CAS number of Tak 187 is 155432-64-7.
What is the molecular formula of Tak 187?
The molecular formula of Tak 187 is C23H20F6N6O3.
What is the molecular weight of Tak 187?
The molecular weight of Tak 187 is 542.1501 g/mol.
Where can I buy Tak 187?
You can request a quote for Tak 187 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tak 187?
Yes, CoreyChem provides custom synthesis services for Tak 187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.