CAS RN: 1082949-68-5
LY-2584702 (tosylate salt)
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251121 | 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260424 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251114 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260119 | 1g | Out of stock | Inquiry | ||
| Batchno.20250131 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260427 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260406 | 50mg | In stock | Tianjin | Inquiry | |
| Batchno.20260625 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1082949-68-5
- Purity/Analytical Methods: >99.0%
1082949-68-5 / 4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;4-methylbenzenesulfonic acid
LY2584702 tosylate | LY-2584702 (tosylate salt) | LY-2584702 tosylate salt
Basic Information
CAS
1082949-68-5
Multi CAS
Yes
Molecular Formula
C28H27F4N7O3S
Molecular Weight
617.600000
Exact Mass
617.183222
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(N=C1C2CCN(CC2)C3=NC=NC4=C3C=NN4)C5=CC(=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C21H19F4N7.C7H8O3S/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30);2-5H,1H3,(H,8,9,10)
InChIKey
HDYUXDNMHBQKAU-UHFFFAOYSA-N
Synonyms
LY2584702 tosylate
LY-2584702 (tosylate salt)
LY-2584702 tosylate salt
LYS6K2 tosylate
4-(4-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazol-2-yl)piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine 4-methylbenzenesulfonate
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
26
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
150.47
TPSA
129.89
LogP / Solubility
WLOGP
5.54
MLOGP
4.92
XLogP3
5.54
Consensus LogP
5.33
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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