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CAS 5521-31-3 N,N’-Dimethyl-3,4,9,10-perylenetetracarboxylic Diimide molecular structure lightbox
CAS RN: 5521-31-3

N,N’-Dimethyl-3,4,9,10-perylenetetracarboxylic Diimide

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100g In stock Shanghai Inquiry
Batchno.20250214 100g In stock Shanghai Inquiry
Batchno.20250924 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250224 1g In stock Shanghai Inquiry
Batchno.20250512 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260614 25g In stock Shanghai, Shandong Inquiry
Batchno.20250731 25g In stock Shanghai Inquiry
Batchno.20260115 500g In stock Shanghai Inquiry
Batchno.20260401 5g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250218 5g In stock Shanghai Inquiry
  • Product code: SSC-163044
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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: 25g
  • 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 5521-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

5521-31-3 / 7,18-dimethyl-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: 5521-31-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5521-31-3
Multi CAS
Yes
Molecular Formula
C26H14N2O4
Molecular Weight
418.400000
Exact Mass
418.095357
InChI
InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3
InChIKey
PJQYNUFEEZFYIS-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid, Other Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.08
H-bond acceptors
4
Molar refractivity
120.5
TPSA
74.76

LogP / Solubility

WLOGP
4.19
MLOGP
3.71
XLogP3
3.7
Consensus LogP
3.87
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.86
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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