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CAS 15727-65-8 1-ETHYNYLNAPHTHALENE molecular structure lightbox
CAS RN: 15727-65-8

1-ETHYNYLNAPHTHALENE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 100g Out of stock Inquiry
Batchno.20250920 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260106 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250717 25g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260502 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-066332
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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: 5g
  • Available purity: ≥97%
  • 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 15727-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

15727-65-8 / 1-ethynylnaphthalene

Standard CAS: 15727-65-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15727-65-8
Multi CAS
No
Molecular Formula
C12H8
Molecular Weight
152.190000
Exact Mass
152.062600
SMILES
C#CC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
InChIKey
MCZUXEWWARACSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
Molar refractivity
51.88
TPSA
0.0000

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.8
Consensus LogP
3.03
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-1.65

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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