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CAS 159135-61-2 3-BROMOMETHYL-1,5,5TRIMETHYL-IMIDAZOLIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 159135-61-2

3-BROMOMETHYL-1,5,5TRIMETHYL-IMIDAZOLIDINE-2,4-DIONE

  • Product code: SSC-067191
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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 159135-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

159135-61-2 / 3-(bromomethyl)-1,5,5-trimethylimidazolidine-2,4-dione

Standard CAS: 159135-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159135-61-2
Multi CAS
No
Molecular Formula
C7H11BrN2O2
Molecular Weight
235.080000
Exact Mass
234.000390
SMILES
CC1(C(=O)N(C(=O)N1C)CBr)C
InChI
InChI=1S/C7H11BrN2O2/c1-7(2)5(11)10(4-8)6(12)9(7)3/h4H2,1-3H3
InChIKey
BBKDOFXVZYMKAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.88
TPSA
40.62

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

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