CAS RN: 119567-79-2

TARIBAVIRIN

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Batchno.20250606 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS119567-79-2
  • Purity/Analytical Methods: >99.0%
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119567-79-2 / 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide

SCHEMBL6981526

Standard CAS: 119567-79-2 Multi CAS: Yes

Basic Information

CAS
119567-79-2
Multi CAS
Yes
Molecular Formula
C8H13N5O4
Molecular Weight
243.220000
Exact Mass
243.096754
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=N)N
InChI
InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1
InChIKey
NHKZSTHOYNWEEZ-AFCXAGJDSA-N
Synonyms
SCHEMBL6981526

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
54.05
TPSA
150.5

LogP / Solubility

WLOGP
-2.83
MLOGP
-2.48
XLogP3
-1.8
Consensus LogP
-2.37
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
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)
-6.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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