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CAS 37796-78-4 2-Bromo-6-Methylnaphthalene molecular structure lightbox
CAS RN: 37796-78-4

2-Bromo-6-Methylnaphthalene

  • Product code: SSC-145237
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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: 0.05g, 0.1g, 0.25g, 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 37796-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

37796-78-4 / 2-bromo-6-methylnaphthalene

Standard CAS: 37796-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37796-78-4
Multi CAS
No
Molecular Formula
C11H9BR
Molecular Weight
221.090000
Exact Mass
219.988760
InChI
InChI=1S/C11H9Br/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-7H,1H3
InChIKey
LIGQAYZZFOJVBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
Molar refractivity
56.39
TPSA
0.0000

LogP / Solubility

WLOGP
3.91
MLOGP
3.44
XLogP3
4.2
Consensus LogP
3.85
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-1.29

Drug-likeness / Medicinal Chemistry

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

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