CAS RN: 724708-21-8
Chk2 Inhibitor
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260420 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS724708-21-8
- Purity/Analytical Methods: >99.0%
724708-21-8 / 5-(2-amino-4-hydroxy-1H-imidazol-5-yl)-3,4-dihydro-2H-azepino[3,4-b]indol-1-one
Basic Information
CAS
724708-21-8
Multi CAS
No
Molecular Formula
C15H13N5O2
Molecular Weight
295.300000
Exact Mass
295.106925
InChI
InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,22H,5-6H2,(H,17,21)(H3,16,19,20)
InChIKey
RZEPRPGFGRQXDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
4
Molar refractivity
82.64
TPSA
116.39
LogP / Solubility
WLOGP
1.21
MLOGP
1.08
XLogP3
0.3
Consensus LogP
0.86
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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