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CAS 89922-58-7 3,7-Dibromo-10-phenyl-10H-phenothiazine molecular structure lightbox
CAS RN: 89922-58-7

3,7-Dibromo-10-phenyl-10H-phenothiazine

  • Product code: SSC-202105
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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 89922-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89922-58-7 / 3,7-dibromo-10-phenylphenothiazine

Standard CAS: 89922-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89922-58-7
Multi CAS
No
Molecular Formula
C18H11BR2NS
Molecular Weight
433.200000
Exact Mass
432.895850
InChI
InChI=1S/C18H11Br2NS/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H
InChIKey
VUDKYFZVHHDUDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
100.65
TPSA
3.24

LogP / Solubility

WLOGP
7.15
MLOGP
6.32
XLogP3
6.7
Consensus LogP
6.72
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-8.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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