CAS RN: 331253-86-2
PDK1/Akt/Flt Dual Pathway Inhibitor
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260507 | 1mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS331253-86-2
- Purity/Analytical Methods: >99.0%
331253-86-2 / 10,12,13,14,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Basic Information
CAS
331253-86-2
Multi CAS
Yes
Molecular Formula
C10H4N6O
Molecular Weight
224.180000
Exact Mass
224.044659
InChI
InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H
InChIKey
DPANHMGWPXVBQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
H-bond acceptors
7
Molar refractivity
55.24
TPSA
85.93
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
XLogP3
0.7
Consensus LogP
0.31
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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