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CAS 1199782-71-2 8-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE molecular structure lightbox
CAS RN: 1199782-71-2

8-FLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE

  • Product code: SSC-020743
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >75%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1199782-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >75% 0 Out of Stock Shanghai Inquiry
0.25g >75% 0 Out of Stock Shanghai Inquiry
1g >75% 0 Out of Stock Shanghai Inquiry

1199782-71-2 / 8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine | MFCD09027690 | (R)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

Standard CAS: 1199782-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1199782-71-2
Multi CAS
No
Molecular Formula
C10H12FN
Molecular Weight
165.210000
Exact Mass
165.095378
SMILES
C1CC(C2=C(C1)C=CC=C2F)N
InChI
InChI=1S/C10H12FN/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1,3,5,9H,2,4,6,12H2
InChIKey
QGWMJANWWZBAKE-UHFFFAOYSA-N
Synonyms
8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine MFCD09027690 (R)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine 8-fluorotetralin-1-amine SCHEMBL22061857

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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