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CAS 163041-87-0 3,8-Tetradecadien-1-ol, acetate, (3E,8Z)- (9CI) molecular structure lightbox
CAS RN: 163041-87-0

3,8-Tetradecadien-1-ol, acetate, (3E,8Z)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-070617
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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: 0.1g
  • 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 163041-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

163041-87-0 / [(3E,8E)-tetradeca-3,8-dienyl] acetate

Standard CAS: 163041-87-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163041-87-0
Multi CAS
No
Molecular Formula
C16H28O2
Molecular Weight
252.390000
Exact Mass
252.208930
SMILES
CCCCC/C=C/CCC/C=C/CCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,12-13H,3-6,9-11,14-15H2,1-2H3/b8-7-,13-12+
InChIKey
WWXVCCMNRBSSKV-LQZWXTFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
77.52
TPSA
26.3

LogP / Solubility

WLOGP
4.8
MLOGP
4.23
XLogP3
5.3
Consensus LogP
4.78
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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