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CAS 82586-66-1 ethyl 2-[(dimethylamino)methyl]thiazole-4-carboxylate molecular structure lightbox
CAS RN: 82586-66-1

ethyl 2-[(dimethylamino)methyl]thiazole-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-190683
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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: ＞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 82586-66-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

82586-66-1 / ethyl 2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxylate

Standard CAS: 82586-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82586-66-1
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
InChI
InChI=1S/C9H14N2O2S/c1-4-13-9(12)7-6-14-8(10-7)5-11(2)3/h6H,4-5H2,1-3H3
InChIKey
WLZZKIFUEGPCKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
55.46
TPSA
42.43

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.33
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-3.05

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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