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CAS 2234-45-9 2-(BENZYLOXY)-6-BROMONAPHTHALENE molecular structure lightbox
CAS RN: 2234-45-9

2-(BENZYLOXY)-6-BROMONAPHTHALENE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 1g In stock Shanghai Inquiry
  • Product code: SSC-108928
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 2234-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

2234-45-9 / 2-bromo-6-phenylmethoxynaphthalene

Standard CAS: 2234-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2234-45-9
Multi CAS
No
Molecular Formula
C17H13BrO
Molecular Weight
313.200000
Exact Mass
312.014980
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=C(C=C3)Br
InChI
InChI=1S/C17H13BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKey
QVVBDTXZESAKDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
82.42
TPSA
9.23

LogP / Solubility

WLOGP
5.18
MLOGP
4.57
XLogP3
5.3
Consensus LogP
5.02
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.95

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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