[email protected]
CAS 1415715-80-8 3-Cyclobutyl-1H-indazole molecular structure lightbox
CAS RN: 1415715-80-8

3-Cyclobutyl-1H-indazole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1415715-80-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1415715-80-8 / 3-cyclobutyl-2H-indazole

Standard CAS: 1415715-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415715-80-8
Multi CAS
No
Molecular Formula
C11H12N2
Molecular Weight
172.230000
Exact Mass
172.100048
SMILES
C1CC(C1)C2=C3C=CC=CC3=NN2
InChI
InChI=1S/C11H12N2/c1-2-7-10-9(6-1)11(13-12-10)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,12,13)
InChIKey
SMVZQNSTJYSVGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
52.69
TPSA
28.68

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.7
Consensus LogP
2.67
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-1.76

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us