CAS RN: 879-08-3
9-ETHYLGUANINE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS879-08-3
- Purity/Analytical Methods: >99.0%
879-08-3 / 2-amino-9-ethyl-1H-purin-6-one
Basic Information
CAS
879-08-3
Multi CAS
Yes
Molecular Formula
C7H9N5O
Molecular Weight
179.180000
Exact Mass
179.080710
InChI
InChI=1S/C7H9N5O/c1-2-12-3-9-4-5(12)10-7(8)11-6(4)13/h3H,2H2,1H3,(H3,8,10,11,13)
InChIKey
WDOYBEPLTCFIRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
48.24
TPSA
89.59
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.6
Consensus LogP
-0.38
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very 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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
