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CAS 91714-50-0 7-(4-Bromobenzoyl)indole molecular structure lightbox
CAS RN: 91714-50-0

7-(4-Bromobenzoyl)indole

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260507 1g In stock Shanghai Inquiry
Batchno.20260601 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-205115
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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: 5g
  • 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 91714-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

91714-50-0 / (4-bromophenyl)-(1H-indol-7-yl)methanone

Standard CAS: 91714-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91714-50-0
Multi CAS
Yes
Molecular Formula
BC15H10ORn
Molecular Weight
300.150000
Exact Mass
298.994580
InChI
InChI=1S/C15H10BrNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-9,17H
InChIKey
RNXKQFMCSXIADL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.87
TPSA
32.86

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble

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)
-1.6

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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