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CAS 57330-48-0 2-Methyl-6-trifluoroMethyl-1H-indole molecular structure lightbox
CAS RN: 57330-48-0

2-Methyl-6-trifluoroMethyl-1H-indole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-165438
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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: 0.25g
  • 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 57330-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

57330-48-0 / 2-methyl-6-(trifluoromethyl)-1H-indole

Standard CAS: 57330-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57330-48-0
Multi CAS
No
Molecular Formula
C10F3H8N
Molecular Weight
199.170000
Exact Mass
199.060884
InChI
InChI=1S/C10H8F3N/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)14-6/h2-5,14H,1H3
InChIKey
SYCSFEDUZAUSQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.04
TPSA
15.79

LogP / Solubility

WLOGP
3.5
MLOGP
3.08
XLogP3
3.3
Consensus LogP
3.29
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

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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