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CAS 13577-23-6 5,6-dibroMoacenaphthylene molecular structure lightbox
CAS RN: 13577-23-6

5,6-dibroMoacenaphthylene

  • Product code: SSC-044366
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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: 0.1g, 0.25g, 1g, 5g
  • 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 13577-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

13577-23-6 / 5,6-dibromoacenaphthylene

Standard CAS: 13577-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13577-23-6
Multi CAS
No
Molecular Formula
C12H6Br2
Molecular Weight
309.980000
Exact Mass
309.881580
SMILES
C1=CC2=CC=C(C3=C(C=CC1=C23)Br)Br
InChI
InChI=1S/C12H6Br2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h1-6H
InChIKey
BPPBSKDZDJKJLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Molar refractivity
68.28
TPSA
0.0000

LogP / Solubility

WLOGP
4.85
MLOGP
4.28
XLogP3
5
Consensus LogP
4.71
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

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)
-1.17

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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