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CAS 507266-70-8 3-Bromo-1-methoxynaphthalene molecular structure lightbox
CAS RN: 507266-70-8

3-Bromo-1-methoxynaphthalene

  • Product code: SSC-157335
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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: 0.1g, 0.25g, 1g, 5g
  • 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 507266-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

507266-70-8 / 3-bromo-1-methoxynaphthalene

Standard CAS: 507266-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
507266-70-8
Multi CAS
No
Molecular Formula
C11H9BRO
Molecular Weight
237.090000
Exact Mass
235.983680
InChI
InChI=1S/C11H9BrO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChIKey
ISXKRCHTNMTFGU-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
4.3
Consensus LogP
3.7
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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