CAS RN: 1352397-67-1
4-Methyl-6-Methoxyl-7-Iodo 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.20251222 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1352397-67-1
- Purity/Analytical Methods: >99.0%
1352397-67-1 / 7-iodo-6-methoxy-4-methyl-1H-indazole
Basic Information
CAS
1352397-67-1
Multi CAS
No
Molecular Formula
C9H9IN2O
Molecular Weight
288.080000
Exact Mass
287.975960
SMILES
CC1=CC(=C(C2=C1C=NN2)I)OC
InChI
InChI=1S/C9H9IN2O/c1-5-3-7(13-2)8(10)9-6(5)4-11-12-9/h3-4H,1-2H3,(H,11,12)
InChIKey
ZJZNPRKYXOJSAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.1
TPSA
37.91
LogP / Solubility
WLOGP
2.48
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.71
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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