CAS RN: 852045-46-6
FLT3 Inhibitor III
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS852045-46-6
- Purity/Analytical Methods: >99.0%
852045-46-6 / 5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
Basic Information
CAS
852045-46-6
Multi CAS
No
Molecular Formula
C21H23N3OS
Molecular Weight
365.500000
Exact Mass
365.156184
InChI
InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)
InChIKey
FNZTULJDGIXMJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
108.44
TPSA
37.39
LogP / Solubility
WLOGP
5.03
MLOGP
4.44
XLogP3
5
Consensus LogP
4.82
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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