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CAS 80689-47-0 5-BroMo-6-Methoxybenzo[d]thiazol-2-aMine molecular structure lightbox
CAS RN: 80689-47-0

5-BroMo-6-Methoxybenzo[d]thiazol-2-aMine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-189397
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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 80689-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

80689-47-0 / 5-bromo-6-methoxy-1,3-benzothiazol-2-amine

Standard CAS: 80689-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80689-47-0
Multi CAS
No
Molecular Formula
BC8H7ORn2S
Molecular Weight
259.130000
Exact Mass
257.946250
InChI
InChI=1S/C8H7BrN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKey
HKUIAGDFAVEANL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.28
TPSA
48.14

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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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