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CAS 200711-22-4 6-(trifluoromethyl)-5-methylindoline molecular structure lightbox
CAS RN: 200711-22-4

6-(trifluoromethyl)-5-methylindoline

  • Product code: SSC-094627
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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 200711-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

200711-22-4 / 5-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole

Standard CAS: 200711-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200711-22-4
Multi CAS
No
Molecular Formula
C10H10F3N
Molecular Weight
201.190000
Exact Mass
201.076534
SMILES
CC1=CC2=C(C=C1C(F)(F)F)NCC2
InChI
InChI=1S/C10H10F3N/c1-6-4-7-2-3-14-9(7)5-8(6)10(11,12)13/h4-5,14H,2-3H2,1H3
InChIKey
SJDNGKSDFPRJQU-UHFFFAOYSA-N

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
48.37
TPSA
12.03

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

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