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CAS 1427363-52-7 1H-Indole, 5-bromo-6-fluoro-2-methyl- molecular structure lightbox
CAS RN: 1427363-52-7

1H-Indole, 5-bromo-6-fluoro-2-methyl-

  • Product code: SSC-053635
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1427363-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1427363-52-7 / 5-bromo-6-fluoro-2-methyl-1H-indole

Standard CAS: 1427363-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427363-52-7
Multi CAS
No
Molecular Formula
C9H7BrFN
Molecular Weight
228.060000
Exact Mass
226.974590
SMILES
CC1=CC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C9H7BrFN/c1-5-2-6-3-7(10)8(11)4-9(6)12-5/h2-4,12H,1H3
InChIKey
ZJSDBFRXIKNPOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.69
TPSA
15.79

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
3.2
Consensus LogP
3.19
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.71

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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