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CAS 91713-91-6 7-(4-Bromobenzoyl)-1,3- dihydro-2H-indol-2-one molecular structure lightbox
CAS RN: 91713-91-6

7-(4-Bromobenzoyl)-1,3- dihydro-2H-indol-2-one

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250607 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260218 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-205114
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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 91713-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

91713-91-6 / 7-(4-bromobenzoyl)-1,3-dihydroindol-2-one

Standard CAS: 91713-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91713-91-6
Multi CAS
No
Molecular Formula
BC15H10O2Rn
Molecular Weight
316.150000
Exact Mass
314.989490
InChI
InChI=1S/C15H10BrNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)
InChIKey
JDSPXIPYMUGSIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.35
TPSA
46.17

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
2.8
Consensus LogP
2.93
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

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