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CAS 78151-58-3 N,N’-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide molecular structure lightbox
CAS RN: 78151-58-3

N,N’-Di-n-octyl-3,4,9,10-perylenetetracarboxylic Diimide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Shanghai Inquiry
Batchno.20260305 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260110 250mg In stock Shanghai Inquiry
Batchno.20260417 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251107 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-187632
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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: ＞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 78151-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

78151-58-3 / 7,18-dioctyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Standard CAS: 78151-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78151-58-3
Multi CAS
Yes
Molecular Formula
C40H42N2O4
Molecular Weight
614.800000
Exact Mass
614.314458
InChI
InChI=1S/C40H42N2O4/c1-3-5-7-9-11-13-23-41-37(43)29-19-15-25-27-17-21-31-36-32(40(46)42(39(31)45)24-14-12-10-8-6-4-2)22-18-28(34(27)36)26-16-20-30(38(41)44)35(29)33(25)26/h15-22H,3-14,23-24H2,1-2H3
InChIKey
YFGMQDNQVFJKTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
20
Fraction Csp3
0.4
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
185.14
TPSA
74.76

LogP / Solubility

WLOGP
9.65
MLOGP
8.54
XLogP3
10.5
Consensus LogP
9.56
Log S (ESOL)
-9.13
Class (ESOL)
Insoluble
Log S (Ali)
-11.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.35
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.38

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
6

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