CAS RN: 1082041-64-2
4-Methoxy-7-Methyl (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.20250527 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1082041-64-2
- Purity/Analytical Methods: >99.0%
1082041-64-2 / 4-methoxy-7-methyl-1H-indazole
4-methoxy-7-methyl-1H-indazole | 4-Methoxy-7-methyl (1H)indazole | MFCD11007894
Basic Information
CAS
1082041-64-2
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CC1=C2C(=C(C=C1)OC)C=NN2
InChI
InChI=1S/C9H10N2O/c1-6-3-4-8(12-2)7-5-10-11-9(6)7/h3-5H,1-2H3,(H,10,11)
InChIKey
UQWDWULAGTVYFJ-UHFFFAOYSA-N
Synonyms
4-methoxy-7-methyl-1H-indazole
4-Methoxy-7-methyl (1H)indazole
MFCD11007894
DTXSID701306141
AKOS006303216
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.38
TPSA
37.91
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
