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CAS 212-74-8 TETRAPHENYLENE, 95 molecular structure lightbox
CAS RN: 212-74-8

TETRAPHENYLENE, 95

  • Product code: SSC-101245
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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 212-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

212-74-8 / tetraphenylene

Standard CAS: 212-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212-74-8
Multi CAS
No
Molecular Formula
C24H16
Molecular Weight
304.400000
Exact Mass
304.125201
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC=CC=C25
InChI
InChI=1S/C24H16/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22/h1-16H
InChIKey
KTQYWNARBMKMCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Molar refractivity
101.74
TPSA
0.0000

LogP / Solubility

WLOGP
6.67
MLOGP
5.88
XLogP3
6.5
Consensus LogP
6.35
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-6.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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