CAS RN: 937650-35-6

Tricyclo[3.3.1.13,7]decane-1-MethanaMine, N-hydroxy-α-Methyl-

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  • Product code: starshine_CAS937650-35-6
  • Purity/Analytical Methods: >99.0%
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937650-35-6 / N-[1-(1-adamantyl)ethyl]hydroxylamine

Standard CAS: 937650-35-6 Multi CAS: No

Basic Information

CAS
937650-35-6
Multi CAS
No
Molecular Formula
C12H21NO
Molecular Weight
195.300000
Exact Mass
195.162314
InChI
InChI=1S/C12H21NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,13-14H,2-7H2,1H3
InChIKey
MYRPSUXUTIGXBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.99
TPSA
32.26

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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