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CAS 26186-00-5 1-Heptadecyne molecular structure lightbox
CAS RN: 26186-00-5

1-Heptadecyne

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 1g In stock Inquiry
Batchno.20250430 250mg In stock Inquiry
Batchno.20260124 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-123268
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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: ≥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 26186-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

26186-00-5 / heptadec-1-yne

Standard CAS: 26186-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26186-00-5
Multi CAS
No
Molecular Formula
C17H32
Molecular Weight
236.400000
Exact Mass
236.250401
SMILES
CCCCCCCCCCCCCCCC#C
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3
InChIKey
DQDNKQWGBZFFRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
13
Molar refractivity
79.15
TPSA
0.0000

LogP / Solubility

WLOGP
6.1
MLOGP
5.37
XLogP3
8.4
Consensus LogP
6.62
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.17

Drug-likeness / Medicinal Chemistry

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

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