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CAS 101426-31-7 2-(4-Methyl-5-thiazolyl)ethyl Decanoate molecular structure lightbox
CAS RN: 101426-31-7

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002271
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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: 25g
  • Available purity: ≥98%
  • 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 101426-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

101426-31-7 / 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate

2-(4-Methyl-5-thiazolyl)ethyl decanoate | 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate | Sulfuryl decanoate

Standard CAS: 101426-31-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101426-31-7
Multi CAS
No
Molecular Formula
C16H27NO2S
Molecular Weight
297.500000
Exact Mass
297.176250
SMILES
CCCCCCCCCC(=O)OCCC1=C(N=CS1)C
InChI
InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
InChIKey
RUOLKIITSCGKJQ-UHFFFAOYSA-N
Synonyms
2-(4-Methyl-5-thiazolyl)ethyl decanoate 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate Sulfuryl decanoate Decanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester FEMA No. 4281

Physical Properties

Boiling Point
177.00 to 179.00 °C. @ 1.50 mm Hg
Density
1.012-1.018
Physical Description
Colourless to yellow liquid; Roasted, nutty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
84.12
TPSA
39.19

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
5.5
Consensus LogP
4.77
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.8
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)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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
H302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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