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CAS 494854-19-2 ethyl 2-(4-(tert-butoxycarbonylamino)phenyl)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 494854-19-2

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

  • Product code: SSC-155720
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 494854-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

494854-19-2 / ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,3-thiazole-4-carboxylate

Standard CAS: 494854-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
494854-19-2
Multi CAS
No
Molecular Formula
C17H20N2O4S
Molecular Weight
348.400000
Exact Mass
348.114378
InChI
InChI=1S/C17H20N2O4S/c1-5-22-15(20)13-10-24-14(19-13)11-6-8-12(9-7-11)18-16(21)23-17(2,3)4/h6-10H,5H2,1-4H3,(H,18,21)
InChIKey
GRHIIEZROYYMPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.36
TPSA
77.52

LogP / Solubility

WLOGP
4.33
MLOGP
3.83
XLogP3
3.7
Consensus LogP
3.95
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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