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CAS 629-89-0 1-Octadecyne molecular structure lightbox
CAS RN: 629-89-0

1-Octadecyne

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 1ml In stock Inquiry
Batchno.20250118 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 1ml In stock Shandong Inquiry
Batchno.20260627 5ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 10g In stock Shanghai Inquiry
Batchno.20251002 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250828 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251116 5g In stock Shanghai Inquiry
  • Product code: SSC-172315
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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: ≥95%
  • 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 629-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

629-89-0 / octadec-1-yne

Standard CAS: 629-89-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
629-89-0
Multi CAS
Yes
Molecular Formula
C18H34
Molecular Weight
250.500000
Exact Mass
250.266051
InChI
InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3
InChIKey
IYDNQWWOZQLMRH-UHFFFAOYSA-N

Physical Properties

Physical Description
White solid or colorless liquid; mp = 22.5 deg C; Melting point = 27 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.89
Rotatable bonds
14
Molar refractivity
83.76
TPSA
0.0000

LogP / Solubility

WLOGP
6.49
MLOGP
5.72
XLogP3
8.9
Consensus LogP
7.04
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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)
0.36

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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