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CAS 116-81-4 Bromaminic acid molecular structure lightbox
CAS RN: 116-81-4

Bromaminic acid

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 100g In stock Inquiry
Batchno.20260325 2.5kg In stock Inquiry
Batchno.20260112 25g In stock Inquiry
Batchno.20250816 500g In stock Inquiry
Batchno.20260208 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 100g In stock Shanghai Inquiry
Batchno.20260328 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251027 500g In stock Shanghai Inquiry
Batchno.20250425 5g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250905 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-016029
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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 116-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

116-81-4 / 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid

Bromamine acid | Alizarine Cyanol Grey G | SBZ7FUN4BK

Standard CAS: 116-81-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116-81-4
Multi CAS
Yes
Molecular Formula
C14H8BrNO5S
Molecular Weight
382.190000
Exact Mass
380.930660
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)O)Br
InChI
InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)
InChIKey
QZZSAWGVHXXMID-UHFFFAOYSA-N
Synonyms
Bromamine acid Alizarine Cyanol Grey G SBZ7FUN4BK NSC-7574 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.68
TPSA
114.53

LogP / Solubility

WLOGP
2.05
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.97
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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (95.5%): 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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