CAS RN: 1610-39-5
Dodecahydrotriphenylene
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS1610-39-5
- Purity/Analytical Methods: >99.0%
1610-39-5 / 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
Basic Information
CAS
1610-39-5
Multi CAS
No
Molecular Formula
C18H24
Molecular Weight
240.400000
Exact Mass
240.187801
SMILES
C1CCC2=C3CCCCC3=C4CCCCC4=C2C1
InChI
InChI=1S/C18H24/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H2
InChIKey
ODHYDPYRIQKHCI-UHFFFAOYSA-N
Physical Properties
Physical Description
White powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Molar refractivity
76.37
TPSA
0.0000
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
6.1
Consensus LogP
4.74
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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
2
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