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CAS 85864-82-0 8-Bromonaphthalene-1-carboxaldehyde molecular structure lightbox
CAS RN: 85864-82-0

8-Bromonaphthalene-1-carboxaldehyde

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250419 100mg In stock Shanghai Inquiry
Batchno.20250521 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251215 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251016 250mg In stock Shanghai Inquiry
  • Product code: SSC-194521
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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 85864-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

85864-82-0 / 8-bromonaphthalene-1-carbaldehyde

Standard CAS: 85864-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85864-82-0
Multi CAS
No
Molecular Formula
C11H7BRO
Molecular Weight
235.080000
Exact Mass
233.968030
InChI
InChI=1S/C11H7BrO/c12-10-6-2-4-8-3-1-5-9(7-13)11(8)10/h1-7H
InChIKey
BMUGYUZLQXTNAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.04
TPSA
17.07

LogP / Solubility

WLOGP
3.41
MLOGP
3.01
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.73

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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