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CAS 1630263-99-8 4CzIPN-Bu molecular structure lightbox
CAS RN: 1630263-99-8

4CzIPN-Bu

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-070569
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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: ≥95%
  • 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 1630263-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1630263-99-8 / 2,4,5,6-tetrakis(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile

Standard CAS: 1630263-99-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1630263-99-8
Multi CAS
No
Molecular Formula
C88H96N6
Molecular Weight
1237.700000
Exact Mass
1236.769647
SMILES
CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=C(C(=C(C(=C4C#N)N5C6=C(C=C(C=C6)C(C)(C)C)C7=C5C=CC(=C7)C(C)(C)C)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C)N1C2=C(C=C(C=C2)C(C)(C)C)C2=C1C=CC(=C2)C(C)(C)C)C#N
InChI
InChI=1S/C88H96N6/c1-81(2,3)51-25-33-69-59(41-51)60-42-52(82(4,5)6)26-34-70(60)91(69)77-67(49-89)78(92-71-35-27-53(83(7,8)9)43-61(71)62-44-54(84(10,11)12)28-36-72(62)92)80(94-75-39-31-57(87(19,20)21)47-65(75)66-48-58(88(22,23)24)32-40-76(66)94)79(68(77)50-90)93-73-37-29-55(85(13,14)15)45-63(73)64-46-56(86(16,17)18)30-38-74(64)93/h25-48H,1-24H3
InChIKey
PIJJQYIWKJBYBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
94
Aromatic heavy atom count
58
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
402.83
TPSA
67.3

LogP / Solubility

WLOGP
24.2
MLOGP
21.42
XLogP3
27
Consensus LogP
24.21
Log S (ESOL)
-22.95
Class (ESOL)
Insoluble
Log S (Ali)
-27.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-28.27
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)
6.91

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
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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