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CAS 72850-76-1 2-Amino-4-isopropyl-thiazole-5- carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 72850-76-1

2-Amino-4-isopropyl-thiazole-5- carboxylic acid ethyl ester

  • Product code: SSC-182347
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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: ＞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 72850-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

72850-76-1 / ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate

Standard CAS: 72850-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72850-76-1
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
InChI
InChI=1S/C9H14N2O2S/c1-4-13-8(12)7-6(5(2)3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKey
SAYUBFVIKXSBTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.57
TPSA
65.21

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.59

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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