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CAS 1113025-33-4 (1S)-7-FLUOROINDANYLAMINE molecular structure lightbox
CAS RN: 1113025-33-4

(1S)-7-FLUOROINDANYLAMINE

  • Product code: SSC-012119
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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: 1g
  • Available purity: ≥95%
  • 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 1113025-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1113025-33-4 / (1S)-7-fluoro-2,3-dihydro-1H-inden-1-amine

(1s)-7-fluoroindanylamine | (S)-7-FLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE | MFCD09256211

Standard CAS: 1113025-33-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1113025-33-4
Multi CAS
Yes
Molecular Formula
C9H10FN
Molecular Weight
151.180000
Exact Mass
151.079727
SMILES
C1CC2=C([C@H]1N)C(=CC=C2)F
InChI
InChI=1S/C9H10FN/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3,8H,4-5,11H2/t8-/m0/s1
InChIKey
WJKDEUGZOJWUPL-QMMMGPOBSA-N
Synonyms
(1s)-7-fluoroindanylamine (S)-7-FLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE MFCD09256211 (1S)-7-fluoro-2,3-dihydro-1H-inden-1-amine (S)-1-Amino-7-fluoroindane

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.65
TPSA
26.02

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.3
Consensus LogP
1.54
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.38

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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