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CAS 50292-95-0 Pergascript Red I 6B molecular structure lightbox
CAS RN: 50292-95-0

Pergascript Red I 6B

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250910 10g In stock Shanghai Inquiry
Batchno.20251210 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251119 500g In stock Tianjin Inquiry
Batchno.20250801 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-156741
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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: 100g
  • Available purity: ＞97%
  • 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 50292-95-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

50292-95-0 / 3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one

Standard CAS: 50292-95-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50292-95-0
Multi CAS
No
Molecular Formula
C42H52N2O2
Molecular Weight
616.900000
Exact Mass
616.402879
InChI
InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3
InChIKey
XOEUNIAGBKGZLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
191.84
TPSA
36.16

LogP / Solubility

WLOGP
11.4
MLOGP
10.08
XLogP3
12.2
Consensus LogP
11.23
Log S (ESOL)
-10.17
Class (ESOL)
Insoluble
Log S (Ali)
-12.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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