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CAS 164918-61-0 Monosodium Bromoisocyanurate molecular structure lightbox
CAS RN: 164918-61-0

Monosodium Bromoisocyanurate

  • Product code: SSC-072079
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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 164918-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

164918-61-0 / sodium 6-bromo-1,3-diaza-5-azanidacyclohexane-2,4-dione

Standard CAS: 164918-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164918-61-0
Multi CAS
No
Molecular Formula
C3H3BrN3NaO2
Molecular Weight
215.970000
Exact Mass
214.930630
SMILES
C1(NC(=O)NC(=O)[N-]1)Br.[Na+]
InChI
InChI=1S/C3H4BrN3O2.Na/c4-1-5-2(8)7-3(9)6-1;/h1H,(H3,5,6,7,8,9);/q;+1/p-1
InChIKey
NZQDCCVEWNITLV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
33.14
TPSA
72.3

LogP / Solubility

WLOGP
-2.52
MLOGP
-2.22
XLogP3
-2.52
Consensus LogP
-2.42
Log S (ESOL)
0.41
Class (ESOL)
Highly soluble
Log S (Ali)
0.49
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.03
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364

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