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CAS 51154-39-3 9,12-Octadecadien-1-ol, methanesulfonate, (9Z,12Z)- molecular structure lightbox
CAS RN: 51154-39-3

9,12-Octadecadien-1-ol, methanesulfonate, (9Z,12Z)-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 100mg In stock Shanghai Inquiry
Batchno.20251102 1g In stock Shanghai Inquiry
Batchno.20251004 250mg In stock Shanghai Inquiry
  • Product code: SSC-157975
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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: ≥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 51154-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

51154-39-3 / [(9E,12E)-octadeca-9,12-dienyl] methanesulfonate

Standard CAS: 51154-39-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51154-39-3
Multi CAS
Yes
Molecular Formula
C19H36O3S
Molecular Weight
344.600000
Exact Mass
344.238516
InChI
InChI=1S/C19H36O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-
InChIKey
JJFLSSAGKSQEHW-NQLNTKRDSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
100.15
TPSA
43.37

LogP / Solubility

WLOGP
5.78
MLOGP
5.1
XLogP3
6.9
Consensus LogP
5.93
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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