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CAS 1212972-62-7 (1S)-5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHYLAMINE molecular structure lightbox
CAS RN: 1212972-62-7

(1S)-5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHYLAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1212972-62-7
  • Purity/Analytical Methods: >99.0%
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1212972-62-7 / (1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE | MFCD07373975 | 5-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Standard CAS: 1212972-62-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212972-62-7
Multi CAS
Yes
Molecular Formula
C10H12FN
Molecular Weight
165.210000
Exact Mass
165.095378
SMILES
C1C[C@@H](C2=C(C1)C(=CC=C2)F)N
InChI
InChI=1S/C10H12FN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5,10H,2-3,6,12H2/t10-/m0/s1
InChIKey
YQYUGHNOJHWIJX-JTQLQIEISA-N
Synonyms
5-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE MFCD07373975 5-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE 5-fluorotetralin-1-amine SCHEMBL1151078

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
46.27
TPSA
26.02

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.7
Consensus LogP
1.92
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.19

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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