CAS RN: 575474-82-7
R 112 (pharMaceutical)
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 10mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 100mg | Out of stock | Inquiry | |
| Batchno.20250714 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251030 | 1g | Out of stock | Inquiry | |
| Batchno.20250627 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260527 | 250mg | Out of stock | Inquiry | |
| Batchno.20260531 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS575474-82-7
- Purity/Analytical Methods: >99.0%
575474-82-7 / 3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
Basic Information
CAS
575474-82-7
Multi CAS
No
Molecular Formula
C16FH13N4O2
Molecular Weight
312.300000
Exact Mass
312.102254
InChI
InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
InChIKey
TVKGTSHBQZEFEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
84.77
TPSA
90.3
LogP / Solubility
WLOGP
3.51
MLOGP
3.11
XLogP3
3.3
Consensus LogP
3.31
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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