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CAS 18067-44-2 1,8-diethynylnaphthalene molecular structure lightbox
CAS RN: 18067-44-2

1,8-diethynylnaphthalene

  • Product code: SSC-081728
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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: 0.1g, 0.25g, 5g, 1g
  • 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 18067-44-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

18067-44-2 / 1,8-diethynylnaphthalene

Standard CAS: 18067-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18067-44-2
Multi CAS
No
Molecular Formula
C14H8
Molecular Weight
176.210000
Exact Mass
176.062600
SMILES
C#CC1=CC=CC2=C1C(=CC=C2)C#C
InChI
InChI=1S/C14H8/c1-3-11-7-5-9-13-10-6-8-12(4-2)14(11)13/h1-2,5-10H
InChIKey
IENBVLHUZUIOSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
Molar refractivity
59.82
TPSA
0.0000

LogP / Solubility

WLOGP
2.8
MLOGP
2.46
XLogP3
3.7
Consensus LogP
2.99
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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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