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CAS 2065-37-4 2-Bromonaphthalene-1,4-dione molecular structure lightbox
CAS RN: 2065-37-4

2-Bromonaphthalene-1,4-dione

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250603 10g In stock Inquiry
Batchno.20250723 1g In stock Inquiry
Batchno.20250101 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100g Out of stock Inquiry
Batchno.20260317 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260203 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250406 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250923 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-097293
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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: 10g
  • 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 2065-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

2065-37-4 / 2-bromonaphthalene-1,4-dione

Standard CAS: 2065-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2065-37-4
Multi CAS
No
Molecular Formula
C10H5BrO2
Molecular Weight
237.050000
Exact Mass
235.947290
SMILES
C1=CC=C2C(=C1)C(=O)C=C(C2=O)Br
InChI
InChI=1S/C10H5BrO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
InChIKey
KJOHPBJYGGFYBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
52.11
TPSA
34.14

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.4
Consensus LogP
2.27
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

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