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CAS 853945-53-6 3-(1-Naphthyl)-1-bromobenzene molecular structure lightbox
CAS RN: 853945-53-6

3-(1-Naphthyl)-1-bromobenzene

  • Product code: SSC-193754
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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 853945-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

853945-53-6 / 1-(3-bromophenyl)naphthalene

Standard CAS: 853945-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853945-53-6
Multi CAS
No
Molecular Formula
C16H11BR
Molecular Weight
283.160000
Exact Mass
282.004410
InChI
InChI=1S/C16H11Br/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H
InChIKey
ANPSUGBBTPJBLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
Molar refractivity
77.08
TPSA
0.0000

LogP / Solubility

WLOGP
5.27
MLOGP
4.65
XLogP3
5.5
Consensus LogP
5.14
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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)
-0.71

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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