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CAS 93716-78-0 1H-INDOLE, 2-(3-BROMOPHENYL)- molecular structure lightbox
CAS RN: 93716-78-0

1H-INDOLE, 2-(3-BROMOPHENYL)-

  • Product code: SSC-208151
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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 93716-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

93716-78-0 / 2-(3-bromophenyl)-1H-indole

Standard CAS: 93716-78-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93716-78-0
Multi CAS
No
Molecular Formula
BC14H10Rn
Molecular Weight
272.140000
Exact Mass
270.999660
InChI
InChI=1S/C14H10BrN/c15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14/h1-9,16H
InChIKey
OKLBEKKWEZXQDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond donors
1
Molar refractivity
71.43
TPSA
15.79

LogP / Solubility

WLOGP
4.6
MLOGP
4.05
XLogP3
4.4
Consensus LogP
4.35
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-1.12

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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