CAS RN: 86392-75-8
7-DEAZA-2′-DEOXYGUANOSINE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS86392-75-8
- Purity/Analytical Methods: >99.0%
86392-75-8 / 2-amino-7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4aH-pyrrolo[2,3-d]pyrimidin-4-one
Basic Information
CAS
86392-75-8
Multi CAS
Yes
Molecular Formula
C11H14N4O4
Molecular Weight
266.250000
Exact Mass
266.101505
InChI
InChI=1S/C11H14N4O4/c12-11-13-9-5(10(18)14-11)1-2-15(9)8-3-6(17)7(4-16)19-8/h1-2,6-8,16-17H,3-4H2,(H3,12,13,14,18)/t6-,7+,8+/m0/s1
InChIKey
PFCLMNDDPTZJHQ-XLPZGREQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
64.9
TPSA
120.74
LogP / Solubility
WLOGP
-1.85
MLOGP
-1.62
XLogP3
-1.6
Consensus LogP
-1.69
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very 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)
-5.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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