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CAS 899897-21-3 Methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate molecular structure lightbox
CAS RN: 899897-21-3

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

  • Product code: SSC-202250
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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 899897-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

899897-21-3 / methyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate

Standard CAS: 899897-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
899897-21-3
Multi CAS
No
Molecular Formula
BC6H6O2RnS
Molecular Weight
236.090000
Exact Mass
234.930260
InChI
InChI=1S/C6H6BrNO2S/c1-3-8-4(5(7)11-3)6(9)10-2/h1-2H3
InChIKey
FINAXYSMTLVVOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.89
TPSA
39.19

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2.6
Consensus LogP
2.12
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.74

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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