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CAS 881040-30-8 5-BROMO-2-(4-CHLORO-PHENYL)-1H-INDOLE molecular structure lightbox
CAS RN: 881040-30-8

5-BROMO-2-(4-CHLORO-PHENYL)-1H-INDOLE

  • Product code: SSC-198554
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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 881040-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

881040-30-8 / 5-bromo-2-(4-chlorophenyl)-1H-indole

Standard CAS: 881040-30-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
881040-30-8
Multi CAS
Yes
Molecular Formula
C14H9BRCLN
Molecular Weight
306.580000
Exact Mass
304.960690
InChI
InChI=1S/C14H9BrClN/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,17H
InChIKey
NAIYVMRIKUGKNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond donors
1
Molar refractivity
76.44
TPSA
15.79

LogP / Solubility

WLOGP
5.25
MLOGP
4.63
XLogP3
5
Consensus LogP
4.96
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
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
No
Log Kp (skin permeation)
-0.86

Drug-likeness / Medicinal Chemistry

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

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