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CAS 1188240-91-6 5-bromo-2-(2-fluorophenyl)-1H-indole molecular structure lightbox
CAS RN: 1188240-91-6

5-bromo-2-(2-fluorophenyl)-1H-indole

  • Product code: SSC-019023
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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: 1g
  • 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 1188240-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1188240-91-6 / 5-bromo-2-(2-fluorophenyl)-1H-indole

5-bromo-2-(2-fluorophenyl)-1H-indole | MFCD17197690 | SCHEMBL1459055

Standard CAS: 1188240-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188240-91-6
Multi CAS
Yes
Molecular Formula
C14H9BrFN
Molecular Weight
290.130000
Exact Mass
288.990240
SMILES
C1=CC=C(C(=C1)C2=CC3=C(N2)C=CC(=C3)Br)F
InChI
InChI=1S/C14H9BrFN/c15-10-5-6-13-9(7-10)8-14(17-13)11-3-1-2-4-12(11)16/h1-8,17H
InChIKey
DBTAIFUHYIHCGW-UHFFFAOYSA-N
Synonyms
5-bromo-2-(2-fluorophenyl)-1H-indole MFCD17197690 SCHEMBL1459055 DBTAIFUHYIHCGW-UHFFFAOYSA-N 5-bromo-2-(2-fluoro-phenyl)-1H-indole

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.39
TPSA
15.79

LogP / Solubility

WLOGP
4.74
MLOGP
4.18
XLogP3
4.5
Consensus LogP
4.47
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

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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