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CAS 899897-20-2 4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI) molecular structure lightbox
CAS RN: 899897-20-2

4-Thiazolecarboxylicacid,5-bromo-2-methyl-(9CI)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg In stock Shanghai Inquiry
Batchno.20260104 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250605 1g In stock Shanghai Inquiry
Batchno.20260629 250mg In stock Shanghai Inquiry
  • Product code: SSC-202249
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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: ＞97%
  • 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 899897-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

899897-20-2 / 5-bromo-2-methyl-1,3-thiazole-4-carboxylic acid

Standard CAS: 899897-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
899897-20-2
Multi CAS
No
Molecular Formula
BC5H4O2RnS
Molecular Weight
222.060000
Exact Mass
220.914610
InChI
InChI=1S/C5H4BrNO2S/c1-2-7-3(5(8)9)4(6)10-2/h1H3,(H,8,9)
InChIKey
LACAQBIVCVSXHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.51
TPSA
50.19

LogP / Solubility

WLOGP
1.91
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.93
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.72

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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