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CAS 1416438-70-4 Methyl 7-(trifluoroMethyl)-1H-indole-4-carboxylate molecular structure lightbox
CAS RN: 1416438-70-4

Methyl 7-(trifluoroMethyl)-1H-indole-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052111
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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: ＞97%
  • 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 1416438-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1416438-70-4 / methyl 7-(trifluoromethyl)-1H-indole-4-carboxylate

Standard CAS: 1416438-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416438-70-4
Multi CAS
No
Molecular Formula
C11H8F3NO2
Molecular Weight
243.180000
Exact Mass
243.050713
SMILES
COC(=O)C1=C2C=CNC2=C(C=C1)C(F)(F)F
InChI
InChI=1S/C11H8F3NO2/c1-17-10(16)7-2-3-8(11(12,13)14)9-6(7)4-5-15-9/h2-5,15H,1H3
InChIKey
SBPMXPHJBULNNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.64
TPSA
42.09

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.8
Consensus LogP
2.8
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

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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