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CAS 6726-47-2 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl- molecular structure lightbox
CAS RN: 6726-47-2

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-

  • Product code: SSC-176952
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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 6726-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

6726-47-2 / 1-methyl-1,3,5-triazinane-2,4,6-trione

Standard CAS: 6726-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6726-47-2
Multi CAS
No
Molecular Formula
C4H5N3O3
Molecular Weight
143.100000
Exact Mass
143.033091
InChI
InChI=1S/C4H5N3O3/c1-7-3(9)5-2(8)6-4(7)10/h1H3,(H2,5,6,8,9,10)
InChIKey
JKFBDXNBNZXCCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
2
Molar refractivity
32.92
TPSA
87.72

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.98
XLogP3
-1
Consensus LogP
-1.74
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.27
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)
-5.18

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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