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CAS 186390-62-5 7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline molecular structure lightbox
CAS RN: 186390-62-5

7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250611 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260222 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260601 10g Out of stock Inquiry
Batchno.20250828 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250721 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250210 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-086443
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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 186390-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

186390-62-5 / 7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline

Standard CAS: 186390-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
186390-62-5
Multi CAS
No
Molecular Formula
C9H9BrN2O2
Molecular Weight
257.080000
Exact Mass
255.984740
SMILES
C1CNCC2=CC(=C(C=C21)[N+](=O)[O-])Br
InChI
InChI=1S/C9H9BrN2O2/c10-8-3-7-5-11-2-1-6(7)4-9(8)12(13)14/h3-4,11H,1-2,5H2
InChIKey
MLIZUKAIRKGUIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.21
TPSA
55.17

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

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

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