CAS RN: 1337882-14-0
5-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.20250902 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1337882-14-0
- Purity/Analytical Methods: >99.0%
1337882-14-0 / 5-iodo-1-(oxan-2-yl)indazole
Basic Information
CAS
1337882-14-0
Multi CAS
No
Molecular Formula
C12H13IN2O
Molecular Weight
328.150000
Exact Mass
328.007260
SMILES
C1CCOC(C1)N2C3=C(C=C(C=C3)I)C=N2
InChI
InChI=1S/C12H13IN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChIKey
UXGKQBPGDONEDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.29
TPSA
27.05
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
3
Consensus LogP
3.1
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.35
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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