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CAS 20395-16-8 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylMethyl)-3,5-di-2-propen-1-yl- molecular structure lightbox
CAS RN: 20395-16-8

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(2-oxiranylMethyl)-3,5-di-2-propen-1-yl-

  • Product code: SSC-095983
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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 20395-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

20395-16-8 / 1-(oxiran-2-ylmethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Standard CAS: 20395-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20395-16-8
Multi CAS
No
Molecular Formula
C12H15N3O4
Molecular Weight
265.260000
Exact Mass
265.106256
SMILES
C=CCN1C(=O)N(C(=O)N(C1=O)CC2CO2)CC=C
InChI
InChI=1S/C12H15N3O4/c1-3-5-13-10(16)14(6-4-2)12(18)15(11(13)17)7-9-8-19-9/h3-4,9H,1-2,5-8H2
InChIKey
XFHNJLUAFSZQRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
69.36
TPSA
78.53

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.92
XLogP3
0.4
Consensus LogP
-0.53
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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