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CAS 20342-96-5 1,8-Dibromophenanthrene molecular structure lightbox
CAS RN: 20342-96-5

1,8-Dibromophenanthrene

  • Product code: SSC-095771
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 20342-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

20342-96-5 / 1,8-dibromophenanthrene

Standard CAS: 20342-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20342-96-5
Multi CAS
No
Molecular Formula
C14H8Br2
Molecular Weight
336.020000
Exact Mass
335.897230
SMILES
C1=CC2=C(C=CC3=C2C=CC=C3Br)C(=C1)Br
InChI
InChI=1S/C14H8Br2/c15-13-5-1-3-9-10-4-2-6-14(16)12(10)8-7-11(9)13/h1-8H
InChIKey
BUABQWKTWGKWGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Molar refractivity
76.85
TPSA
0.0000

LogP / Solubility

WLOGP
5.52
MLOGP
4.87
XLogP3
5.8
Consensus LogP
5.4
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.42
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)
-0.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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