CAS RN: 906669-07-6
KPLH1130
Product Availability
Choose a grade to view its available package options.
10 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 1mg / 5mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS906669-07-6
- Purity/Analytical Methods: >99.0%
906669-07-6 / 3-(2,4-dihydroxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Basic Information
CAS
906669-07-6
Multi CAS
Yes
Molecular Formula
C15H13N3O3
Molecular Weight
283.280000
Exact Mass
283.095691
InChI
InChI=1S/C15H13N3O3/c1-9-2-4-10(5-3-9)18-14(16-17-15(18)21)12-7-6-11(19)8-13(12)20/h2-8,19-20H,1H3,(H,17,21)
InChIKey
UUTBMTOBGXJTLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
77.69
TPSA
91.14
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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