CAS RN: 64162-07-8
ethyl 2-aminocyclohexanecarboxylate
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS64162-07-8
- Purity/Analytical Methods: >99.0%
64162-07-8 / ethyl 2-aminocyclohexane-1-carboxylate
Basic Information
CAS
64162-07-8
Multi CAS
No
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3
InChIKey
VODUKXHGDCJEOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.57
TPSA
52.32
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1.5
Consensus LogP
1.17
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.01
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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