CAS RN: 1561772-33-5
4-fluoro-3-iodo-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.20260328 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1561772-33-5
- Purity/Analytical Methods: >99.0%
1561772-33-5 / 4-fluoro-3-iodo-1-(oxan-2-yl)indazole
Basic Information
CAS
1561772-33-5
Multi CAS
No
Molecular Formula
C12H12FIN2O
Molecular Weight
346.140000
Exact Mass
345.997840
SMILES
C1CCOC(C1)N2C3=C(C(=CC=C3)F)C(=N2)I
InChI
InChI=1S/C12H12FIN2O/c13-8-4-3-5-9-11(8)12(14)15-16(9)10-6-1-2-7-17-10/h3-5,10H,1-2,6-7H2
InChIKey
BNRBUNUYILIUEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.25
TPSA
27.05
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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