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CAS 491601-38-8 2-PHENYL-5-(TRIFLUOROMETHYL)-1H-INDOLE molecular structure lightbox
CAS RN: 491601-38-8

2-PHENYL-5-(TRIFLUOROMETHYL)-1H-INDOLE

  • Product code: SSC-155551
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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 491601-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

491601-38-8 / 2-phenyl-5-(trifluoromethyl)-1H-indole

Standard CAS: 491601-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
491601-38-8
Multi CAS
No
Molecular Formula
C15F3H10N
Molecular Weight
261.240000
Exact Mass
261.076534
InChI
InChI=1S/C15H10F3N/c16-15(17,18)12-6-7-13-11(8-12)9-14(19-13)10-4-2-1-3-5-10/h1-9,19H
InChIKey
AVHBERHHLKGZCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.74
TPSA
15.79

LogP / Solubility

WLOGP
4.85
MLOGP
4.28
XLogP3
4.6
Consensus LogP
4.58
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87

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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