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CAS 1416881-50-9 4,5-bis(carbazol-9-yl)-1,2-dicyanobenzene molecular structure lightbox
CAS RN: 1416881-50-9

4,5-bis(carbazol-9-yl)-1,2-dicyanobenzene

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250428 100mg / 500mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250222 100mg In stock Shanghai Inquiry
Batchno.20251105 10g In stock Shanghai Inquiry
Batchno.20260501 1g In stock Shanghai Inquiry
Batchno.20251101 250mg In stock Shanghai Inquiry
Batchno.20250103 25g In stock Shanghai Inquiry
Batchno.20250708 50mg In stock Shanghai Inquiry
Batchno.20260124 5g In stock Shanghai Inquiry
  • Product code: SSC-052255
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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 1416881-50-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1416881-50-9 / 4,5-di(carbazol-9-yl)benzene-1,2-dicarbonitrile

Standard CAS: 1416881-50-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1416881-50-9
Multi CAS
No
Molecular Formula
C32H18N4
Molecular Weight
458.500000
Exact Mass
458.153147
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C=C(C(=C4)C#N)C#N)N5C6=CC=CC=C6C7=CC=CC=C75
InChI
InChI=1S/C32H18N4/c33-19-21-17-31(35-27-13-5-1-9-23(27)24-10-2-6-14-28(24)35)32(18-22(21)20-34)36-29-15-7-3-11-25(29)26-12-4-8-16-30(26)36/h1-18H
InChIKey
BSQBWXBFVYTYOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
144.55
TPSA
57.44

LogP / Solubility

WLOGP
7.62
MLOGP
6.74
XLogP3
7.5
Consensus LogP
7.29
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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