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CAS 5021-45-4 CHEMBRDG-BB 5128501 molecular structure lightbox
CAS RN: 5021-45-4

CHEMBRDG-BB 5128501

  • Product code: SSC-156622
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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: >97%
  • 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 5021-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

5021-45-4 / 2-(4-bromophenyl)quinoxaline

Standard CAS: 5021-45-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5021-45-4
Multi CAS
Yes
Molecular Formula
BC14H9Rn2
Molecular Weight
285.140000
Exact Mass
283.994910
InChI
InChI=1S/C14H9BrN2/c15-11-7-5-10(6-8-11)14-9-16-12-3-1-2-4-13(12)17-14/h1-9H
InChIKey
FXKZRBJBUFVFNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.67
TPSA
25.78

LogP / Solubility

WLOGP
4.06
MLOGP
3.58
XLogP3
3.6
Consensus LogP
3.75
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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)
-1.58

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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