| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 24 | Yes |
Popular Name: 2-{4-[1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]piperazino}-1-ethanol 2-{4-[1,3-dimethyl-4-(trifluorom…
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CAS Numbers: 952183-75-4 , N/A , [952183-75-4]
2-(4-(1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl)piperazin-1-yl)ethanol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.54 | 2.43 | -8.95 | 1 | 6 | 0 | 57 | 343.353 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 4.82 | -41.77 | 2 | 6 | 1 | 59 | 344.361 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.050000000000000e+002 - 1.070000000000000e+002 | KeyOrganics |
| melting_point | 105 - 107 | KeyOrganics |
| MP | 105-107° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
