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CAS 2411641-16-0 1H-Inden-1-one, 6-bromo-2,3-dihydro-5-(trifluoromethyl)- molecular structure lightbox
CAS RN: 2411641-16-0

1H-Inden-1-one, 6-bromo-2,3-dihydro-5-(trifluoromethyl)-

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260623 100mg Out of stock Inquiry
Batchno.20251015 250mg Out of stock Inquiry
Batchno.20250903 25mg Out of stock Inquiry
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  • Product code: starshine_CAS2411641-16-0
  • Purity/Analytical Methods: >99.0%
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2411641-16-0 / 6-bromo-5-(trifluoromethyl)-2,3-dihydroinden-1-one

Standard CAS: 2411641-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2411641-16-0
Multi CAS
No
Molecular Formula
C10H6BrF3O
Molecular Weight
279.050000
Exact Mass
277.955410
SMILES
C1CC(=O)C2=CC(=C(C=C21)C(F)(F)F)Br
InChI
InChI=1S/C10H6BrF3O/c11-8-4-6-5(1-2-9(6)15)3-7(8)10(12,13)14/h3-4H,1-2H2
InChIKey
WDBIFIDVPCVPEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.8
TPSA
17.07

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
3.2
Consensus LogP
3.32
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

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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