CAS RN: 1260758-52-8
3-Chloro-7-Methoxy-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.20251026 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260758-52-8
- Purity/Analytical Methods: >99.0%
1260758-52-8 / 3-chloro-7-methoxy-2H-indazole
Basic Information
CAS
1260758-52-8
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
COC1=CC=CC2=C(NN=C21)Cl
InChI
InChI=1S/C8H7ClN2O/c1-12-6-4-2-3-5-7(6)10-11-8(5)9/h2-4H,1H3,(H,10,11)
InChIKey
VRSNKVTWKGSQQF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.66
TPSA
37.91
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
