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CAS 3401-47-6 1-Bromo-2-methoxynaphthalene molecular structure lightbox
CAS RN: 3401-47-6

1-Bromo-2-methoxynaphthalene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250324 100g In stock Inquiry
Batchno.20260423 10g Out of stock Inquiry
Batchno.20260623 25g In stock Inquiry
Batchno.20260121 5g In stock Inquiry
  • Product code: SSC-140238
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 100g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3401-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Hong Kong Inquiry
100g ≥98% 1 In Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

3401-47-6 / 1-bromo-2-methoxynaphthalene

Standard CAS: 3401-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3401-47-6
Multi CAS
Yes
Molecular Formula
C11H9BRO
Molecular Weight
237.090000
Exact Mass
235.983680
InChI
InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey
XNIGURFWNPLWJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
58.2
TPSA
9.23

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
3.8
Consensus LogP
3.53
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-1.6

Drug-likeness / Medicinal Chemistry

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

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