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CAS 173998-63-5 7-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE molecular structure lightbox
CAS RN: 173998-63-5

7-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS173998-63-5
  • Purity/Analytical Methods: >99.0%
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173998-63-5 / 7-fluoro-1,2,3,4-tetrahydronaphthalen-2-amine

Standard CAS: 173998-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173998-63-5
Multi CAS
No
Molecular Formula
C10H12FN
Molecular Weight
165.210000
Exact Mass
165.095378
SMILES
C1CC2=C(CC1N)C=C(C=C2)F
InChI
InChI=1S/C10H12FN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2
InChIKey
WWEGVSHNWGNDIX-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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