CAS RN: 4744-94-9
2-CYCLOOCTYL-ETHYLAMINE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS4744-94-9
- Purity/Analytical Methods: >99.0%
4744-94-9 / 2-cyclooctylethanamine
Basic Information
CAS
4744-94-9
Multi CAS
No
Molecular Formula
C10H21N
Molecular Weight
155.280000
Exact Mass
155.167400
InChI
InChI=1S/C10H21N/c11-9-8-10-6-4-2-1-3-5-7-10/h10H,1-9,11H2
InChIKey
CYLNFXZMOWHGFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.48
TPSA
26.02
LogP / Solubility
WLOGP
2.7
MLOGP
2.37
XLogP3
3.5
Consensus LogP
2.86
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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