CAS RN: 1382979-44-3
GDC-0084
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8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
| Batchno.20250728 |
100mg |
In stock |
Shanghai | Inquiry |
| Batchno.20251125 |
10mg |
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| Batchno.20260127 |
1g |
Out of stock |
| Inquiry |
| Batchno.20251102 |
1mg |
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| Batchno.20260505 |
250mg |
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| Batchno.20250709 |
25mg |
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| Batchno.20250515 |
50mg |
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| Batchno.20260104 |
5mg |
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Product code:
starshine_CAS1382979-44-3
-
Purity/Analytical Methods:
>99.0%
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1382979-44-3 / 5-(6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl)pyrimidin-2-amine
Standard CAS: 1382979-44-3
Multi CAS: No
Basic Information
CAS
1382979-44-3
Multi CAS
No
Molecular Formula
C18H22N8O2
Molecular Weight
382.400000
Exact Mass
382.186572
SMILES
CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C
InChI
InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)
InChIKey
LGWACEZVCMBSKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
1
Molar refractivity
102.77
TPSA
117.1
LogP / Solubility
WLOGP
0.97
MLOGP
0.87
XLogP3
-0.3
Consensus LogP
0.51
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5