CAS RN: 944904-22-7
5-(Chloromethyl)-1H-indazole
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.20250322 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS944904-22-7
- Purity/Analytical Methods: >99.0%
944904-22-7 / 5-(chloromethyl)-1H-indazole
Basic Information
CAS
944904-22-7
Multi CAS
No
Molecular Formula
C8H7CLN2
Molecular Weight
166.610000
Exact Mass
166.029776
InChI
InChI=1S/C8H7ClN2/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,4H2,(H,10,11)
InChIKey
MINWBKTYJNPQBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.65
TPSA
28.68
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.1
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
