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CAS 1213103-82-2 (1R)-5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE molecular structure lightbox
CAS RN: 1213103-82-2

(1R)-5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE

  • Product code: SSC-023232
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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 1213103-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1213103-82-2 / (1R)-5,7-difluoro-2,3-dihydro-1H-inden-1-amine

5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE | 5,7-DIFLUORO-INDAN-1-YLAMINE | MFCD07373929

Standard CAS: 1213103-82-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213103-82-2
Multi CAS
Yes
Molecular Formula
C9H9F2N
Molecular Weight
169.170000
Exact Mass
169.070306
SMILES
C1CC2=C([C@@H]1N)C(=CC(=C2)F)F
InChI
InChI=1S/C9H9F2N/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8H,1-2,12H2/t8-/m1/s1
InChIKey
WFNMSZYZLUAEER-MRVPVSSYSA-N
Synonyms
5,7-DIFLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE 5,7-DIFLUORO-INDAN-1-YLAMINE MFCD07373929 5,7-difluoroindan-1-amine 1-Amino-5,7-difluoroindane

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
41.61
TPSA
26.02

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.4

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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