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CAS 2541-61-9 (9Z,12Z)-9,12-Octadecadienal molecular structure lightbox
CAS RN: 2541-61-9

(9Z,12Z)-9,12-Octadecadienal

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-121350
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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 2541-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2541-61-9 / octadeca-9,12-dienal

Standard CAS: 2541-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2541-61-9
Multi CAS
No
Molecular Formula
C18H32O
Molecular Weight
264.400000
Exact Mass
264.245316
SMILES
CCCCCC=CCC=CCCCCCCCC=O
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,18H,2-5,8,11-17H2,1H3
InChIKey
HXLZULGRVFOIDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
85.42
TPSA
17.07

LogP / Solubility

WLOGP
6
MLOGP
5.29
XLogP3
6.5
Consensus LogP
5.93
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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)
-0.07

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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