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CAS 128-93-8 1-Methylamino-4-bromo anthraquinone molecular structure lightbox
CAS RN: 128-93-8

1-Methylamino-4-bromo anthraquinone

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 100g In stock Inquiry
Batchno.20250217 25g In stock Inquiry
Batchno.20251223 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250621 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250713 500g Out of stock Inquiry
Batchno.20251213 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-035387
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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: 25g
  • 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 128-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

128-93-8 / 1-bromo-4-(methylamino)anthracene-9,10-dione

Standard CAS: 128-93-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
128-93-8
Multi CAS
No
Molecular Formula
C15H10BrNO2
Molecular Weight
316.150000
Exact Mass
314.989490
SMILES
CNC1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3
InChIKey
IIPRUQZTMZETSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77
TPSA
46.17

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
4.1
Consensus LogP
3.42
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 39 companies (only 5.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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