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CAS 163266-17-9 2-(4-Methyl-5-thiazolyl)ethyl octanoate molecular structure lightbox
CAS RN: 163266-17-9

2-(4-Methyl-5-thiazolyl)ethyl octanoate

  • Product code: SSC-070928
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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 163266-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

163266-17-9 / 2-(4-methyl-1,3-thiazol-5-yl)ethyl octanoate

Standard CAS: 163266-17-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
163266-17-9
Multi CAS
No
Molecular Formula
C14H23NO2S
Molecular Weight
269.400000
Exact Mass
269.144950
SMILES
CCCCCCCC(=O)OCCC1=C(N=CS1)C
InChI
InChI=1S/C14H23NO2S/c1-3-4-5-6-7-8-14(16)17-10-9-13-12(2)15-11-18-13/h11H,3-10H2,1-2H3
InChIKey
OGJATLSJIMPQBD-UHFFFAOYSA-N

Physical Properties

Density
1.036-1.042
Physical Description
Colourless to yellow liquid; Roasted, nutty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
74.89
TPSA
39.19

LogP / Solubility

WLOGP
3.9
MLOGP
3.44
XLogP3
4.4
Consensus LogP
3.91
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
Class (SILICOS-IT)
Slightly soluble

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)
-1.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

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