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CAS 173998-68-0 5,6-difluoro-2,3-dihydro-1H-inden-2-amine molecular structure lightbox
CAS RN: 173998-68-0

5,6-difluoro-2,3-dihydro-1H-inden-2-amine

  • Product code: SSC-076360
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 173998-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Shanghai Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry

173998-68-0 / 5,6-difluoro-2,3-dihydro-1H-inden-2-amine

Standard CAS: 173998-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173998-68-0
Multi CAS
No
Molecular Formula
C9H9F2N
Molecular Weight
169.170000
Exact Mass
169.070306
SMILES
C1C(CC2=CC(=C(C=C21)F)F)N
InChI
InChI=1S/C9H9F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
InChIKey
QOCUGSJAOYAVQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.74
TPSA
26.02

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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