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CAS 1012881-37-6 ethyl 2-tert-butylthiazole-5-carboxylate molecular structure lightbox
CAS RN: 1012881-37-6

ethyl 2-tert-butylthiazole-5-carboxylate

  • Product code: SSC-002130
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1012881-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 5 In Stock Hong Kong Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry

1012881-37-6 / ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate

Ethyl 2-(tert-butyl)thiazole-5-carboxylate | ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate | MFCD28137670

Standard CAS: 1012881-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1012881-37-6
Multi CAS
No
Molecular Formula
C10H15NO2S
Molecular Weight
213.300000
Exact Mass
213.082350
SMILES
CCOC(=O)C1=CN=C(S1)C(C)(C)C
InChI
InChI=1S/C10H15NO2S/c1-5-13-8(12)7-6-11-9(14-7)10(2,3)4/h6H,5H2,1-4H3
InChIKey
KZJMIYNMRNUMFW-UHFFFAOYSA-N
Synonyms
Ethyl 2-(tert-butyl)thiazole-5-carboxylate ethyl 2-tert-butyl-1,3-thiazole-5-carboxylate MFCD28137670 ethyl 2-tert-butylthiazole-5-carboxylate SCHEMBL4276371

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.77
TPSA
39.19

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
3.2
Consensus LogP
2.71
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.16

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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