CAS RN: 141122-62-5
3-HYDROXY-5-IODO (1H)INDAZOLE
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.20260125 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS141122-62-5
- Purity/Analytical Methods: >99.0%
141122-62-5 / 5-iodo-1,2-dihydroindazol-3-one
Basic Information
CAS
141122-62-5
Multi CAS
No
Molecular Formula
C7H5IN2O
Molecular Weight
260.030000
Exact Mass
259.944660
SMILES
C1=CC2=C(C=C1I)C(=O)NN2
InChI
InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11)
InChIKey
VPUMHNMIQKJAHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
51.64
TPSA
48.65
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.8
Consensus LogP
1.52
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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