CAS RN: 2229050-90-0
FLT3-IN-3
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.20250722 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2229050-90-0
- Purity/Analytical Methods: >99.0%
2229050-90-0 / 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
Basic Information
CAS
2229050-90-0
Multi CAS
No
Molecular Formula
C27H38N8O
Molecular Weight
490.600000
Exact Mass
490.316858
SMILES
C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NC5=CC=C(C=C5)CN6CCOCC6
InChI
InChI=1S/C27H38N8O/c28-20-7-11-22(12-8-20)31-27-32-25(24-26(33-27)35(18-29-24)23-3-1-2-4-23)30-21-9-5-19(6-10-21)17-34-13-15-36-16-14-34/h5-6,9-10,18,20,22-23H,1-4,7-8,11-17,28H2,(H2,30,31,32,33)
InChIKey
SAEGVASGMTZGFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
15
Fraction Csp3
0.59
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
142.5
TPSA
106.15
LogP / Solubility
WLOGP
4.2
MLOGP
3.73
XLogP3
3.3
Consensus LogP
3.74
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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