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CAS 50389-70-3 1-Bromo-2-ethoxynaphthalene molecular structure lightbox
CAS RN: 50389-70-3

1-Bromo-2-ethoxynaphthalene

  • Product code: SSC-156903
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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 50389-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

50389-70-3 / 1-bromo-2-ethoxynaphthalene

Standard CAS: 50389-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50389-70-3
Multi CAS
No
Molecular Formula
C12H11BRO
Molecular Weight
251.120000
Exact Mass
249.999330
InChI
InChI=1S/C12H11BrO/c1-2-14-11-8-7-9-5-3-4-6-10(9)12(11)13/h3-8H,2H2,1H3
InChIKey
BUMQDJUGOXMLDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.82
TPSA
9.23

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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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