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CAS 85508-99-2 4-BROMO-3-METHYL-ISOTHIAZOL-5-YLAMINE molecular structure lightbox
CAS RN: 85508-99-2

4-BROMO-3-METHYL-ISOTHIAZOL-5-YLAMINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai Inquiry
Batchno.20250224 1g In stock Shanghai Inquiry
Batchno.20260324 250mg In stock Shanghai Inquiry
  • Product code: SSC-193936
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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 85508-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

85508-99-2 / 4-bromo-3-methyl-1,2-thiazol-5-amine

Standard CAS: 85508-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85508-99-2
Multi CAS
No
Molecular Formula
BC4H5Rn2S
Molecular Weight
193.070000
Exact Mass
191.935680
InChI
InChI=1S/C4H5BrN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3
InChIKey
IICJMPBBIYDDKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.96
TPSA
38.91

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.62

Drug-likeness / Medicinal Chemistry

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

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