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CAS 494769-34-5 (4-FORMYLTHIAZOL-2-YL)CARBAMIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 494769-34-5

(4-FORMYLTHIAZOL-2-YL)CARBAMIC ACID TERT-BUTYL ESTER

  • Product code: SSC-155702
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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 494769-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

494769-34-5 / tert-butyl N-(4-formyl-1,3-thiazol-2-yl)carbamate

Standard CAS: 494769-34-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
494769-34-5
Multi CAS
Yes
Molecular Formula
C9H12N2O3S
Molecular Weight
228.270000
Exact Mass
228.056863
InChI
InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h4-5H,1-3H3,(H,10,11,13)
InChIKey
WJJQIZYBOFGKLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.36
TPSA
68.29

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.6
Consensus LogP
1.98
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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