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CAS 116-82-5 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone molecular structure lightbox
CAS RN: 116-82-5

1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260201 100g In stock Inquiry
Batchno.20260306 25g In stock Inquiry
Batchno.20250423 5g In stock Inquiry
  • Product code: SSC-016030
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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 116-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

116-82-5 / 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione

1-Amino-2-bromo-4-hydroxyanthraquinone | Latyl Red B | Sumkaron Red 3B

Standard CAS: 116-82-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116-82-5
Multi CAS
No
Molecular Formula
C14H8BrNO3
Molecular Weight
318.120000
Exact Mass
316.968760
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N
InChI
InChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2
InChIKey
MSSQDESMUMSQEN-UHFFFAOYSA-N
Synonyms
1-Amino-2-bromo-4-hydroxyanthraquinone Latyl Red B Sumkaron Red 3B 9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy- Sandoplast Red 2B

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.53
TPSA
80.39

LogP / Solubility

WLOGP
2.51
MLOGP
2.22
XLogP3
3.6
Consensus LogP
2.78
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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