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CAS 27032-78-6 1,3,5-Triazinane-2,4-dione molecular structure lightbox
CAS RN: 27032-78-6

1,3,5-Triazinane-2,4-dione

  • Product code: SSC-125646
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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 27032-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

27032-78-6 / 1,3,5-triazinane-2,4-dione

Standard CAS: 27032-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27032-78-6
Multi CAS
No
Molecular Formula
C3H5N3O2
Molecular Weight
115.090000
Exact Mass
115.038176
SMILES
C1NC(=O)NC(=O)N1
InChI
InChI=1S/C3H5N3O2/c7-2-4-1-5-3(8)6-2/h1H2,(H3,4,5,6,7,8)
InChIKey
YTFXKURWTLWPKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
3
Molar refractivity
25.07
TPSA
70.23

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.92
XLogP3
-1.2
Consensus LogP
-1.05
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.45
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)
-4.16

Drug-likeness / Medicinal Chemistry

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

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