CAS RN: 945363-51-9
1-(4-METHOXYPHENYL)-1,5,6,7-TETRAHYDROINDAZOL-4-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS945363-51-9
- Purity/Analytical Methods: >99.0%
945363-51-9 / 1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
Basic Information
CAS
945363-51-9
Multi CAS
No
Molecular Formula
C14H14N2O2
Molecular Weight
242.270000
Exact Mass
242.105528
InChI
InChI=1S/C14H14N2O2/c1-18-11-7-5-10(6-8-11)16-13-3-2-4-14(17)12(13)9-15-16/h5-9H,2-4H2,1H3
InChIKey
LOYJCZAMYSLPAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.38
TPSA
44.12
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2
Consensus LogP
2.17
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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