CAS RN: 486-70-4
(-)-LUPININE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS486-70-4
- Purity/Analytical Methods: >99.0%
486-70-4 / [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
Basic Information
CAS
486-70-4
Multi CAS
Yes
Molecular Formula
C10H19NO
Molecular Weight
169.260000
Exact Mass
169.146664
InChI
InChI=1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKey
HDVAWXXJVMJBAR-VHSXEESVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.02
TPSA
23.47
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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