CAS RN: 58151-87-4

Ribavirin IMpurity F

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  • Product code: starshine_CAS58151-87-4
  • Purity/Analytical Methods: >99.0%
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58151-87-4 / [5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate

Standard CAS: 58151-87-4 Multi CAS: Yes

Basic Information

CAS
58151-87-4
Multi CAS
Yes
Molecular Formula
C10H14N4O6
Molecular Weight
286.240000
Exact Mass
286.091334
InChI
InChI=1S/C10H14N4O6/c1-4(15)19-2-5-6(16)7(17)10(20-5)14-3-12-9(13-14)8(11)18/h3,5-7,10,16-17H,2H2,1H3,(H2,11,18)/t5-,6-,7-,10-/m1/s1
InChIKey
SSKIKIHFNHSINB-DAGMQNCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
3
Molar refractivity
61.1
TPSA
149.79

LogP / Solubility

WLOGP
-2.44
MLOGP
-2.14
XLogP3
-1.8
Consensus LogP
-2.13
Class (ESOL)
Highly soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
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)
-6.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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