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CAS 1346635-65-1 3-bromo-2-iodo-9,9-dimethyl-9H-fluorene molecular structure lightbox
CAS RN: 1346635-65-1

3-bromo-2-iodo-9,9-dimethyl-9H-fluorene

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4 package records0 with current stock1 grade group
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Batchno.20250205 100mg Out of stock Inquiry
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  • Product code: starshine_CAS1346635-65-1
  • Purity/Analytical Methods: >99.0%
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1346635-65-1 / 3-bromo-2-iodo-9,9-dimethylfluorene

Standard CAS: 1346635-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1346635-65-1
Multi CAS
No
Molecular Formula
C15H12BrI
Molecular Weight
399.060000
Exact Mass
397.916710
SMILES
CC1(C2=CC=CC=C2C3=CC(=C(C=C31)I)Br)C
InChI
InChI=1S/C15H12BrI/c1-15(2)11-6-4-3-5-9(11)10-7-13(16)14(17)8-12(10)15/h3-8H,1-2H3
InChIKey
DWYKLFPUSWLWOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Molar refractivity
84.42
TPSA
0.0000

LogP / Solubility

WLOGP
5.36
MLOGP
4.74
XLogP3
5.8
Consensus LogP
5.3
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

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)
-1.35

Drug-likeness / Medicinal Chemistry

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

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