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CAS 1146395-69-8 3-cyclopropyl-1H-indazole molecular structure lightbox
CAS RN: 1146395-69-8

3-cyclopropyl-1H-indazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1146395-69-8
  • Purity/Analytical Methods: >99.0%
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1146395-69-8 / 3-cyclopropyl-2H-indazole

3-Cyclopropyl-1H-indazole | 3-cyclopropyl-2H-indazole | 1H-INDAZOLE, 3-CYCLOPROPYL-

Standard CAS: 1146395-69-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1146395-69-8
Multi CAS
No
Molecular Formula
C10H10N2
Molecular Weight
158.200000
Exact Mass
158.084398
SMILES
C1CC1C2=C3C=CC=CC3=NN2
InChI
InChI=1S/C10H10N2/c1-2-4-9-8(3-1)10(12-11-9)7-5-6-7/h1-4,7H,5-6H2,(H,11,12)
InChIKey
JAVBTLDJPYBQEW-UHFFFAOYSA-N
Synonyms
3-Cyclopropyl-1H-indazole 3-cyclopropyl-2H-indazole 1H-INDAZOLE, 3-CYCLOPROPYL- MFCD12828101 SCHEMBL3057752

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.07
TPSA
28.68

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-1.95

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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