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CAS 850198-02-6 5-AMino-6-broMoisoquinoline molecular structure lightbox
CAS RN: 850198-02-6

5-AMino-6-broMoisoquinoline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192893
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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 850198-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

850198-02-6 / 6-bromoisoquinolin-5-amine

Standard CAS: 850198-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850198-02-6
Multi CAS
No
Molecular Formula
BC9H7Rn2
Molecular Weight
223.070000
Exact Mass
221.979260
InChI
InChI=1S/C9H7BrN2/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H,11H2
InChIKey
TZHVTCQPCFBQGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.86
TPSA
38.91

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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