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CAS 7567-63-7 1,3,5-Triethynylbenzene molecular structure lightbox
CAS RN: 7567-63-7

1,3,5-Triethynylbenzene

  • Product code: SSC-185110
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Verified Factory Data

Supply Overview & Packaging Options

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: 1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7567-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 1 In Stock Beijing Inquiry

7567-63-7 / 1,3,5-triethynylbenzene

Standard CAS: 7567-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7567-63-7
Multi CAS
No
Molecular Formula
C12H6
Molecular Weight
150.180000
Exact Mass
150.046950
InChI
InChI=1S/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H
InChIKey
ZDRMMTYSQSIGRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
3
Molar refractivity
50.25
TPSA
0.0000

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
2.7
Consensus LogP
1.92
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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