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CAS 32519-72-5 1-(2-amino-4-methylthiazol-5-yl)-2-bromoethanone molecular structure lightbox
CAS RN: 32519-72-5

1-(2-amino-4-methylthiazol-5-yl)-2-bromoethanone

  • Product code: SSC-138134
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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 32519-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

32519-72-5 / 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-bromoethanone

Standard CAS: 32519-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32519-72-5
Multi CAS
No
Molecular Formula
BC6H7ORn2S
Molecular Weight
235.100000
Exact Mass
233.946250
InChI
InChI=1S/C6H7BrN2OS/c1-3-5(4(10)2-7)11-6(8)9-3/h2H2,1H3,(H2,8,9)
InChIKey
PGFMEUCSGCDKLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.39
TPSA
55.98

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-3.01

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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