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CAS 75934-42-8 4,6-DIMETHYL-1-TRIFLUOROACETYLINDOLE molecular structure lightbox
CAS RN: 75934-42-8

4,6-DIMETHYL-1-TRIFLUOROACETYLINDOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS75934-42-8
  • Purity/Analytical Methods: >99.0%
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75934-42-8 / 1-(4,6-dimethylindol-1-yl)-2,2,2-trifluoroethanone

Standard CAS: 75934-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75934-42-8
Multi CAS
No
Molecular Formula
C12F3H10NO
Molecular Weight
241.210000
Exact Mass
241.071448
InChI
InChI=1S/C12H10F3NO/c1-7-5-8(2)9-3-4-16(10(9)6-7)11(17)12(13,14)15/h3-6H,1-2H3
InChIKey
GFBSFAXMGMRPBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
58.09
TPSA
22

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.7
Consensus LogP
3.4
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.73

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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