CAS RN: 5746-29-2
6-METHOXYPURINE RIBOSIDE
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS5746-29-2
- Purity/Analytical Methods: >99.0%
5746-29-2 / 2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolane-3,4-diol
Basic Information
CAS
5746-29-2
Multi CAS
Yes
Molecular Formula
C11H14N4O5
Molecular Weight
282.250000
Exact Mass
282.096420
InChI
InChI=1S/C11H14N4O5/c1-19-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3
InChIKey
UQQHOWKTDKKTHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
3
Molar refractivity
64.88
TPSA
122.75
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.36
XLogP3
-0.4
Consensus LogP
-1.1
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
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)
-5.54
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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