CAS RN: 29984-33-6
Vidarabine monophosphate
Product Availability
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6 package records6 with current stock2 grade groups
- Product code: starshine_CAS29984-33-6
- Purity/Analytical Methods: >99.0%
29984-33-6 / [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Basic Information
CAS
29984-33-6
Multi CAS
Yes
Molecular Formula
C10H14N5O7P
Molecular Weight
347.220000
Exact Mass
347.063085
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
InChIKey
UDMBCSSLTHHNCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
73.66
TPSA
186.07
LogP / Solubility
WLOGP
-1.86
MLOGP
-1.62
XLogP3
-3.5
Consensus LogP
-2.33
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
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)
-6.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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