CAS RN: 634924-89-3

9H-Purin-6-amine,8-ethoxy-9-ethyl-(9CI)

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  • Product code: starshine_CAS634924-89-3
  • Purity/Analytical Methods: >99.0%
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634924-89-3 / 8-ethoxy-9-ethylpurin-6-amine

Standard CAS: 634924-89-3 Multi CAS: Yes

Basic Information

CAS
634924-89-3
Multi CAS
Yes
Molecular Formula
C9H13N5O
Molecular Weight
207.230000
Exact Mass
207.112010
InChI
InChI=1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKey
QUGDTMONBLMLLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
56.58
TPSA
78.85

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.7
Consensus LogP
0.75
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4

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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