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CAS 1252927-42-6 2H-Indazol-6-aMine,3-Methyl- molecular structure lightbox
CAS RN: 1252927-42-6

2H-Indazol-6-aMine,3-Methyl-

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Batchno.20250123 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1252927-42-6
  • Purity/Analytical Methods: >99.0%
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1252927-42-6 / 3-methyl-2H-indazol-6-amine

Standard CAS: 1252927-42-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1252927-42-6
Multi CAS
No
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
SMILES
CC1=C2C=CC(=CC2=NN1)N
InChI
InChI=1S/C8H9N3/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
InChIKey
HWSCSUHNTVVKSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.24
TPSA
54.7

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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