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CAS 81-49-2 1-Amino-2,4-dibromoanthraquinone molecular structure lightbox
CAS RN: 81-49-2

1-Amino-2,4-dibromoanthraquinone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 100g In stock Shanghai Inquiry
Batchno.20250127 25g In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-189600
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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: ＞97%
  • 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 81-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

81-49-2 / 1-amino-2,4-dibromoanthracene-9,10-dione

Standard CAS: 81-49-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
81-49-2
Multi CAS
Yes
Molecular Formula
C14H7BR2NO2
Molecular Weight
381.020000
Exact Mass
380.882300
InChI
InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChIKey
ZINRVIQBCHAZMM-UHFFFAOYSA-N

Physical Properties

Melting Point
439 °F (NTP, 1992) 221 °C
Physical Description
1-amino-2,4-dibromoanthraquinone is an odorless red powder. (NTP, 1992) Odorless red solid; [CAMEO]
Appearance
Red needles (from xylene)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.56
TPSA
60.16

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
4.1
Consensus LogP
3.61
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
Yes
Log Kp (skin permeation)
-2.51

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
No
Synthetic Accessibility
1.5

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