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CAS 81569-28-0 Methyl 2-bromo-5-isopropyl-1,3-thiazole-4-carboxylate molecular structure lightbox
CAS RN: 81569-28-0

Methyl 2-bromo-5-isopropyl-1,3-thiazole-4-carboxylate

  • Product code: SSC-189981
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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: 5g
  • 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 81569-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

81569-28-0 / methyl 2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxylate

Standard CAS: 81569-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81569-28-0
Multi CAS
No
Molecular Formula
BC8H10O2RnS
Molecular Weight
264.140000
Exact Mass
262.961560
InChI
InChI=1S/C8H10BrNO2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3
InChIKey
AQOIWGWWWPVWHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.24
TPSA
39.19

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.87
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-2.33

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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