CAS RN: 53859-06-6
Desoxo-narchinol A
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS53859-06-6
- Purity/Analytical Methods: >99.0%
53859-06-6 / 4-hydroxy-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one
Basic Information
CAS
53859-06-6
Multi CAS
Yes
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
InChI
InChI=1S/C12H16O2/c1-8-4-3-5-9-10(13)6-7-11(14)12(8,9)2/h5-8,11,14H,3-4H2,1-2H3/t8-,11-,12+/m1/s1
InChIKey
YWSIMWUTQXMOSD-FXAINCCUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.58
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.74
TPSA
37.3
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
2
Consensus LogP
1.83
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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