CAS RN: 1086392-14-4
(1H-Indazol-6-yl)-methyl-amine
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260401 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1086392-14-4
- Purity/Analytical Methods: >99.0%
1086392-14-4 / N-methyl-1H-indazol-6-amine
(2H-indazol-6-yl)methanamine | RefChem:396707 | 807-744-2
Basic Information
CAS
1086392-14-4
Multi CAS
Yes
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
SMILES
CNC1=CC2=C(C=C1)C=NN2
InChI
InChI=1S/C8H9N3/c1-9-7-3-2-6-5-10-11-8(6)4-7/h2-5,9H,1H3,(H,10,11)
InChIKey
ZLSXCHHKRWBXKR-UHFFFAOYSA-N
Synonyms
(2H-indazol-6-yl)methanamine
RefChem:396707
807-744-2
(1H-indazol-6-yl)methanamine
1H-indazol-6-ylmethanamine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.64
TPSA
40.71
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
2.2
Consensus LogP
1.74
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.48
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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