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CAS 79247-80-6 Ethyl 5-broMo-4-Methylthiazole-2-carboxylate molecular structure lightbox
CAS RN: 79247-80-6

Ethyl 5-broMo-4-Methylthiazole-2-carboxylate

  • Product code: SSC-188460
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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 79247-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

79247-80-6 / ethyl 5-bromo-4-methyl-1,3-thiazole-2-carboxylate

Standard CAS: 79247-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79247-80-6
Multi CAS
No
Molecular Formula
BC7H8O2RnS
Molecular Weight
250.120000
Exact Mass
248.945910
InChI
InChI=1S/C7H8BrNO2S/c1-3-11-7(10)6-9-4(2)5(8)12-6/h3H2,1-2H3
InChIKey
MMOVAAILXOXJJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
50.51
TPSA
39.19

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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