CAS RN: 1801253-90-6
5-CHLORO-3-(CHLOROMETHYL)-1-(TETRAHYDRO-2H-PYRAN-2-YL)-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.20250415 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1801253-90-6
- Purity/Analytical Methods: >99.0%
1801253-90-6 / 5-chloro-3-(chloromethyl)-1-(oxan-2-yl)indazole
Basic Information
CAS
1801253-90-6
Multi CAS
No
Molecular Formula
C13H14Cl2N2O
Molecular Weight
285.170000
Exact Mass
284.048319
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)Cl)C(=N2)CCl
InChI
InChI=1S/C13H14Cl2N2O/c14-8-11-10-7-9(15)4-5-12(10)17(16-11)13-3-1-2-6-18-13/h4-5,7,13H,1-3,6,8H2
InChIKey
FMERBZWNHKNJIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.14
TPSA
27.05
LogP / Solubility
WLOGP
4.13
MLOGP
3.64
XLogP3
3.4
Consensus LogP
3.72
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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