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CAS 1088205-02-0 2,6-Dibromo-N,N’-bis(2-ethylhexyl)-1,8:4,5-naphthalenetetracarboxdiimide molecular structure lightbox
CAS RN: 1088205-02-0

2,6-Dibromo-N,N’-bis(2-ethylhexyl)-1,8:4,5-naphthalenetetracarboxdiimide

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 1g In stock Inquiry
Batchno.20250831 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250722 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251227 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-010065
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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 1088205-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1088205-02-0 / 2,9-dibromo-6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

DTXSID80857034 | 4,9-Dibromo-2,7-bis(2-ethylhexyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone | 4,9-Dibromo-2,7-bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

Standard CAS: 1088205-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1088205-02-0
Multi CAS
No
Molecular Formula
C30H36Br2N2O4
Molecular Weight
648.400000
Exact Mass
648.102130
SMILES
CCCCC(CC)CN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CC(CC)CCCC)Br)C1=O)Br
InChI
InChI=1S/C30H36Br2N2O4/c1-5-9-11-17(7-3)15-33-27(35)19-13-22(32)26-24-20(14-21(31)25(23(19)24)29(33)37)28(36)34(30(26)38)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKey
IMWDVKCSASRBSW-UHFFFAOYSA-N
Synonyms
DTXSID80857034 4,9-Dibromo-2,7-bis(2-ethylhexyl)benzo(lmn)(3,8)phenanthroline-1,3,6,8(2H,7H)-tetrone 4,9-Dibromo-2,7-bis(2-ethylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone RefChem:1069599 DTXCID20807775

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
156.69
TPSA
74.76

LogP / Solubility

WLOGP
7.99
MLOGP
7.08
XLogP3
8.8
Consensus LogP
7.96
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-10.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.95
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

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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