CAS RN: 853299-52-2
ATH 686
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260401 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250224 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250510 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250211 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251227 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS853299-52-2
- Purity/Analytical Methods: >99.0%
853299-52-2 / 1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
Basic Information
CAS
853299-52-2
Multi CAS
No
Molecular Formula
C25F3H28N7O2
Molecular Weight
515.500000
Exact Mass
515.225658
InChI
InChI=1S/C25H28F3N7O2/c1-2-34-11-13-35(14-12-34)16-17-3-4-19(15-21(17)25(26,27)28)32-24(36)31-18-5-7-20(8-6-18)37-22-9-10-30-23(29)33-22/h3-10,15H,2,11-14,16H2,1H3,(H2,29,30,33)(H2,31,32,36)
InChIKey
VQQRBBFRJRBWPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
134.44
TPSA
108.64
LogP / Solubility
WLOGP
4.65
MLOGP
4.13
XLogP3
3.2
Consensus LogP
3.99
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
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
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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