CAS RN: 1365889-00-4
5-(But-1-yn-1-yl)-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.20250605 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1365889-00-4
- Purity/Analytical Methods: >99.0%
1365889-00-4 / 5-but-1-ynyl-1-(oxan-2-yl)indazole
Basic Information
CAS
1365889-00-4
Multi CAS
No
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
SMILES
CCC#CC1=CC2=C(C=C1)N(N=C2)C3CCCCO3
InChI
InChI=1S/C16H18N2O/c1-2-3-6-13-8-9-15-14(11-13)12-17-18(15)16-7-4-5-10-19-16/h8-9,11-12,16H,2,4-5,7,10H2,1H3
InChIKey
FAYLJVQBPJVUKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
75.74
TPSA
27.05
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
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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