CAS RN: 90-39-1
(-)-SPARTEINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251222 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS90-39-1
- Purity/Analytical Methods: >99.0%
90-39-1 / 7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
Basic Information
CAS
90-39-1
Multi CAS
Yes
Molecular Formula
C15H26N2
Molecular Weight
234.380000
Exact Mass
234.209599
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
InChIKey
SLRCCWJSBJZJBV-ZQDZILKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
70.02
TPSA
6.48
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
