[email protected]
CAS 95689-92-2 N,N’-Ditridecyl-3,4,9,10-perylenetetracarboxylic Diimide molecular structure lightbox
CAS RN: 95689-92-2

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

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 200mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg In stock Shanghai Inquiry
Batchno.20250613 500mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 100mg Out of stock Inquiry
Batchno.20250501 1g Out of stock Inquiry
  • Product code: SSC-211253
GET A QUOTE
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: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 95689-92-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

95689-92-2 / 7,18-di(tridecyl)-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: 95689-92-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
95689-92-2
Multi CAS
Yes
Molecular Formula
C50H62N2O4
Molecular Weight
755.000000
Exact Mass
754.470958
InChI
InChI=1S/C50H62N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-33-51-47(53)39-29-25-35-37-27-31-41-46-42(32-28-38(44(37)46)36-26-30-40(48(51)54)45(39)43(35)36)50(56)52(49(41)55)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
InChIKey
XCAZCFDCJHGAIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
20
Fraction Csp3
0.52
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
231.31
TPSA
74.76

LogP / Solubility

WLOGP
13.55
MLOGP
11.99
XLogP3
16
Consensus LogP
13.85
Log S (ESOL)
-11.74
Class (ESOL)
Insoluble
Log S (Ali)
-15.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.7
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)
2.3

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

Customers Also Viewed

Get In Touch

Contact Us