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CAS 173904-10-4 5-BROMOHYDANTOIN molecular structure lightbox
CAS RN: 173904-10-4

5-BROMOHYDANTOIN

  • Product code: SSC-076328
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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: 5g
  • 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 173904-10-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

173904-10-4 / 5-bromoimidazolidine-2,4-dione

Standard CAS: 173904-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173904-10-4
Multi CAS
No
Molecular Formula
C3H3BrN2O2
Molecular Weight
178.970000
Exact Mass
177.937790
SMILES
C1(C(=O)NC(=O)N1)Br
InChI
InChI=1S/C3H3BrN2O2/c4-1-2(7)6-3(8)5-1/h1H,(H2,5,6,7,8)
InChIKey
SAFCTMWBPBVFII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.39
TPSA
58.2

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.2
Consensus LogP
-0.35
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

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

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