CAS RN: 1416881-52-1

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11 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100mg In stock Inquiry
Batchno.20251003 1g In stock Inquiry
Batchno.20251204 500mg In stock Inquiry
Batchno.20260625 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260505 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250419 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260309 25g In stock Shanghai, Wuhan Inquiry
Batchno.20250527 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-052257
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 1g, 5g, 10g, 25g, 100g, 0.25g
  • Available purity: >98%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

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Recorded sizes, purity and stock details for CAS 1416881-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Shenzhen Inquiry
1g >98% 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Shenzhen Inquiry

1416881-52-1 / 2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile

Standard CAS: 1416881-52-1 Multi CAS: No

Basic Information

CAS
1416881-52-1
Multi CAS
No
Molecular Formula
C56H32N6
Molecular Weight
788.900000
Exact Mass
788.268845
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
InChI
InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)44(34-58)55(61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)54(43)60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60/h1-32H
InChIKey
PRWATGACIORDEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
58
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
253.23
TPSA
67.3

LogP / Solubility

WLOGP
13.82
MLOGP
12.23
XLogP3
13.7
Consensus LogP
13.25
Log S (ESOL)
-13.87
Class (ESOL)
Insoluble
Log S (Ali)
-16.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.74
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)
2.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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