CAS RN: 1031876-62-6
3-amino-1-methyl-1H-indazol-6-ol
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.20250112 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1031876-62-6
- Purity/Analytical Methods: >99.0%
1031876-62-6 / 3-amino-1-methylindazol-6-ol
3-amino-1-methyl-1H-indazol-6-ol | 3-amino-1-methylindazol-6-ol | MFCD11847082
Basic Information
CAS
1031876-62-6
Multi CAS
No
Molecular Formula
C8H9N3O
Molecular Weight
163.180000
Exact Mass
163.074562
SMILES
CN1C2=C(C=CC(=C2)O)C(=N1)N
InChI
InChI=1S/C8H9N3O/c1-11-7-4-5(12)2-3-6(7)8(9)10-11/h2-4,12H,1H3,(H2,9,10)
InChIKey
JNLXFBNAYSZPKV-UHFFFAOYSA-N
Synonyms
3-amino-1-methyl-1H-indazol-6-ol
3-amino-1-methylindazol-6-ol
MFCD11847082
SCHEMBL1160779
3-amino-1-methyl-indazol-6-ol
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.79
TPSA
64.07
LogP / Solubility
WLOGP
0.86
MLOGP
0.75
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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