CAS RN: 3868-32-4
8-AMINOGUANOSINE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS3868-32-4
- Purity/Analytical Methods: >99.0%
3868-32-4 / 2,8-diamino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-purin-6-one
Basic Information
CAS
3868-32-4
Multi CAS
Yes
Molecular Formula
C10H14N6O5
Molecular Weight
298.260000
Exact Mass
298.102568
InChI
InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2-5,8,17-19H,1H2,(H2,12,13)(H2,11,15,20)/t2-,3?,4-,5-,8-/m1/s1
InChIKey
QDJSOIZTQDOZNZ-ABEFGGPWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
5
Molar refractivity
69.07
TPSA
179.35
LogP / Solubility
WLOGP
-4.32
MLOGP
-3.79
XLogP3
-3.6
Consensus LogP
-3.9
Log S (ESOL)
1.17
Class (ESOL)
Highly soluble
Log S (Ali)
1.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.75
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-7.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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