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CAS 94159-31-6 2-(4-Methyl-5-thiazolyl)ethyl Butyrate molecular structure lightbox
CAS RN: 94159-31-6

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-208717
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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: 10g
  • 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 94159-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

94159-31-6 / 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate

Standard CAS: 94159-31-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
94159-31-6
Multi CAS
No
Molecular Formula
C10H15NO2S
Molecular Weight
213.300000
Exact Mass
213.082350
InChI
InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3
InChIKey
GDRZNYCKSKHESZ-UHFFFAOYSA-N

Physical Properties

Density
1.106-1.112
Physical Description
Colourless to yellow liquid; Roasted, nutty aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
56.42
TPSA
39.19

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.2
Consensus LogP
2.2
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

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