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CAS 2384795-34-8 8-Bromo-3-iodo-6-trifluoromethyl-imidazo[1,2-a]pyridine molecular structure lightbox
CAS RN: 2384795-34-8

8-Bromo-3-iodo-6-trifluoromethyl-imidazo[1,2-a]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260122 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2384795-34-8
  • Purity/Analytical Methods: >99.0%
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2384795-34-8 / 8-bromo-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine

Standard CAS: 2384795-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2384795-34-8
Multi CAS
No
Molecular Formula
C8H3BrF3IN2
Molecular Weight
390.930000
Exact Mass
389.847640
SMILES
C1=C(C2=NC=C(N2C=C1C(F)(F)F)I)Br
InChI
InChI=1S/C8H3BrF3IN2/c9-5-1-4(8(10,11)12)3-15-6(13)2-14-7(5)15/h1-3H
InChIKey
LLXJUNMIVIACER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
60.61
TPSA
17.3

LogP / Solubility

WLOGP
3.72
MLOGP
3.3
XLogP3
4
Consensus LogP
3.67
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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