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CAS 1212909-10-8 (1S)-6-(TRIFLUOROMETHYL)INDANYLAMINE molecular structure lightbox
CAS RN: 1212909-10-8

(1S)-6-(TRIFLUOROMETHYL)INDANYLAMINE

  • Product code: SSC-023128
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1212909-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1212909-10-8 / (1S)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine

6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDEN-1-AMINE | MFCD18207628 | 1-Amino-6-(trifluoromethyl)indane

Standard CAS: 1212909-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1212909-10-8
Multi CAS
Yes
Molecular Formula
C10H10F3N
Molecular Weight
201.190000
Exact Mass
201.076534
SMILES
C1CC2=C([C@H]1N)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3N/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5,9H,2,4,14H2/t9-/m0/s1
InChIKey
ZLXDFXSCHGSKFJ-VIFPVBQESA-N
Synonyms
6-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-INDEN-1-AMINE MFCD18207628 1-Amino-6-(trifluoromethyl)indane 6-Trifluoromethyl-1-indanamine 6-trifluoromethyl-1-aminoindane

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.69
TPSA
26.02

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.1
Consensus LogP
2.36
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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