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CAS 871-84-1 1,7-Octadiyne molecular structure lightbox
CAS RN: 871-84-1

1,7-Octadiyne

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250710 100g In stock Shanghai Inquiry
Batchno.20260424 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250323 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20250123 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260522 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-196641
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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, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 871-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

871-84-1 / octa-1,7-diyne

Standard CAS: 871-84-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871-84-1
Multi CAS
Yes
Molecular Formula
C8H10
Molecular Weight
106.160000
Exact Mass
106.078250
InChI
InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2
InChIKey
DSOJWVLXZNRKCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
Molar refractivity
36.13
TPSA
0.0000

LogP / Solubility

WLOGP
1.81
MLOGP
1.58
XLogP3
2.5
Consensus LogP
1.96
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.08

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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