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CAS 82953-57-9 N,N’-Bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide molecular structure lightbox
CAS RN: 82953-57-9

N,N’-Bis(2,6-diisopropylphenyl)-3,4,9,10-perylenetetracarboxylic Diimide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250327 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251210 1g / 5g / 10g Confirm by inquiry Shandong, Guangdong, Hebei Inquiry
Batchno.20260218 25g In stock Shanghai Inquiry
Batchno.20250320 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-190947
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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: >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 82953-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

82953-57-9 / 7,18-bis[2,6-di(propan-2-yl)phenyl]-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: 82953-57-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82953-57-9
Multi CAS
Yes
Molecular Formula
C48H42N2O4
Molecular Weight
710.900000
Exact Mass
710.314458
InChI
InChI=1S/C48H42N2O4/c1-23(2)27-11-9-12-28(24(3)4)43(27)49-45(51)35-19-15-31-33-17-21-37-42-38(22-18-34(40(33)42)32-16-20-36(46(49)52)41(35)39(31)32)48(54)50(47(37)53)44-29(25(5)6)13-10-14-30(44)26(7)8/h9-26H,1-8H3
InChIKey
NAZODJSYHDYJGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
32
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
219.17
TPSA
74.76

LogP / Solubility

WLOGP
11.83
MLOGP
10.47
XLogP3
11.3
Consensus LogP
11.2
Log S (ESOL)
-11.74
Class (ESOL)
Insoluble
Log S (Ali)
-13.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.82
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)
1.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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