[email protected]
CAS 116757-91-6 2,2,2-TRIFLUORO-1-(1-METHYL-1H-INDOL-3-YL)-1-ETHANOL molecular structure lightbox
CAS RN: 116757-91-6

2,2,2-TRIFLUORO-1-(1-METHYL-1H-INDOL-3-YL)-1-ETHANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-016689
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 116757-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

116757-91-6 / 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol

2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-ol | 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-ethanol | MFCD02571238

Standard CAS: 116757-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116757-91-6
Multi CAS
No
Molecular Formula
C11H10F3NO
Molecular Weight
229.200000
Exact Mass
229.071448
SMILES
CN1C=C(C2=CC=CC=C21)C(C(F)(F)F)O
InChI
InChI=1S/C11H10F3NO/c1-15-6-8(10(16)11(12,13)14)7-4-2-3-5-9(7)15/h2-6,10,16H,1H3
InChIKey
ARPIRHUPDYIDHC-UHFFFAOYSA-N
Synonyms
2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-ol 2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)-1-ethanol MFCD02571238 2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethanol 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.93
TPSA
25.16

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us