CAS RN: 32388-55-9
Methyl Cedryl Ketone
Product Availability
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3 package records3 with current stock2 grade groups
- Product code: starshine_CAS32388-55-9
- Purity/Analytical Methods: >99.0%
32388-55-9 / 1-(2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl)ethanone
Basic Information
CAS
32388-55-9
Multi CAS
Yes
Molecular Formula
C17H26O
Molecular Weight
246.400000
Exact Mass
246.198365
InChI
InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
InChIKey
YBUIAJZFOGJGLJ-SWRJLBSHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
74.21
TPSA
17.07
LogP / Solubility
WLOGP
4.37
MLOGP
3.85
XLogP3
4
Consensus LogP
4.07
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
