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CAS 86320-44-7 1,5-Diacetyl-1,3,5-triazinane-2,4-dione molecular structure lightbox
CAS RN: 86320-44-7

1,5-Diacetyl-1,3,5-triazinane-2,4-dione

  • Product code: SSC-195258
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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: ≥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 86320-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

86320-44-7 / 1,5-diacetyl-1,3,5-triazinane-2,4-dione

Standard CAS: 86320-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86320-44-7
Multi CAS
No
Molecular Formula
C7H9N3O4
Molecular Weight
199.160000
Exact Mass
199.059306
InChI
InChI=1S/C7H9N3O4/c1-4(11)9-3-10(5(2)12)7(14)8-6(9)13/h3H2,1-2H3,(H,8,13,14)
InChIKey
LYPVKWMHGFMDPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.43
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.83
TPSA
86.79

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.45
XLogP3
-1.2
Consensus LogP
-0.72
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-4.3

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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