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CAS 21667-32-3 3,7-dibromo-10H-phenothiazine molecular structure lightbox
CAS RN: 21667-32-3

3,7-dibromo-10H-phenothiazine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260410 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing 5-7 business days Inquiry
Batchno.20251129 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251114 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250109 25g In stock Shanghai Inquiry
Batchno.20251103 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-103965
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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 21667-32-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

21667-32-3 / 3,7-dibromo-10H-phenothiazine

Standard CAS: 21667-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21667-32-3
Multi CAS
No
Molecular Formula
C12H7Br2NS
Molecular Weight
357.070000
Exact Mass
356.864550
SMILES
C1=CC2=C(C=C1Br)SC3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H7Br2NS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6,15H
InChIKey
NVORBAXCWWFMSA-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
75.69
TPSA
12.03

LogP / Solubility

WLOGP
5.42
MLOGP
4.79
XLogP3
5.5
Consensus LogP
5.24
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
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
Yes
Log Kp (skin permeation)
-1.05

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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