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CAS 189512-01-4 ethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 189512-01-4

ethyl 2-(tert-butoxycarbonylamino)thiazole-4-carboxylate

  • Product code: SSC-088637
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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: ＞97%
  • 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 189512-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

189512-01-4 / ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate

Standard CAS: 189512-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189512-01-4
Multi CAS
No
Molecular Formula
C11H16N2O4S
Molecular Weight
272.320000
Exact Mass
272.083078
SMILES
CCOC(=O)C1=CSC(=N1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H16N2O4S/c1-5-16-8(14)7-6-18-9(12-7)13-10(15)17-11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKey
CSKBQHOSNPFIQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.93
TPSA
77.52

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.4
Consensus LogP
2.48
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

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

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