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CAS 832734-16-4 3,7-dibromo-10H-phenoxazine molecular structure lightbox
CAS RN: 832734-16-4

3,7-dibromo-10H-phenoxazine

  • Product code: SSC-191154
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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 832734-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

832734-16-4 / 3,7-dibromo-10H-phenoxazine

Standard CAS: 832734-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
832734-16-4
Multi CAS
No
Molecular Formula
C12H7BR2NO
Molecular Weight
341.000000
Exact Mass
340.887390
InChI
InChI=1S/C12H7Br2NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,15H
InChIKey
YXPTXFACOUYRSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.64
TPSA
21.26

LogP / Solubility

WLOGP
5.06
MLOGP
4.47
XLogP3
5.2
Consensus LogP
4.91
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.08
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

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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