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CAS 217093-62-4 7-Bromo-2-chloro-6-methoxyquinoxaline molecular structure lightbox
CAS RN: 217093-62-4

7-Bromo-2-chloro-6-methoxyquinoxaline

  • Product code: SSC-104559
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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: >95%
  • 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 217093-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

217093-62-4 / 7-bromo-2-chloro-6-methoxyquinoxaline

Standard CAS: 217093-62-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217093-62-4
Multi CAS
No
Molecular Formula
C9H6BrClN2O
Molecular Weight
273.510000
Exact Mass
271.935200
SMILES
COC1=C(C=C2C(=C1)N=CC(=N2)Cl)Br
InChI
InChI=1S/C9H6BrClN2O/c1-14-8-3-6-7(2-5(8)10)13-9(11)4-12-6/h2-4H,1H3
InChIKey
OYYZLRIVSNMJEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.8
TPSA
35.01

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

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

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