CAS RN: 852804-23-0
6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS852804-23-0
- Purity/Analytical Methods: >99.0%
852804-23-0 / 6-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine
Basic Information
CAS
852804-23-0
Multi CAS
Yes
Molecular Formula
C10FH12N
Molecular Weight
165.210000
Exact Mass
165.095378
InChI
InChI=1S/C10H12FN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5,10H,2,4,6,12H2
InChIKey
DFJWRBBRNOCYRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.4
TPSA
26.02
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-2.56
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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