CAS RN: 152774-16-8
Adenosine-9-yl acetic acid t-butyl ester
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.20250628 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS152774-16-8
- Purity/Analytical Methods: >99.0%
152774-16-8 / tert-butyl 2-(6-aminopurin-9-yl)acetate
Basic Information
CAS
152774-16-8
Multi CAS
No
Molecular Formula
C11H15N5O2
Molecular Weight
249.270000
Exact Mass
249.122575
SMILES
CC(C)(C)OC(=O)CN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C11H15N5O2/c1-11(2,3)18-7(17)4-16-6-15-8-9(12)13-5-14-10(8)16/h5-6H,4H2,1-3H3,(H2,12,13,14)
InChIKey
DLXYCJXQTOWEKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
65.58
TPSA
95.92
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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