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CAS 6294-79-7 Diallyl Isocyanurate molecular structure lightbox
CAS RN: 6294-79-7

Diallyl Isocyanurate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260225 10g In stock Shanghai Inquiry
Batchno.20260120 1g In stock Shanghai Inquiry
Batchno.20260227 25g In stock Shanghai Inquiry
Batchno.20260519 500g Out of stock Inquiry
Batchno.20250914 5g In stock Shanghai, Wuhan, Chengdu Inquiry
  • Product code: ICTI0304
  • Purity/Analytical Methods: >98.0%(GC)(T)
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6294-79-7 / 1,3-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

Standard CAS: 6294-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6294-79-7
Multi CAS
Yes
Molecular Formula
C9H11N3O3
Molecular Weight
209.200000
Exact Mass
209.080041
InChI
InChI=1S/C9H11N3O3/c1-3-5-11-7(13)10-8(14)12(6-4-2)9(11)15/h3-4H,1-2,5-6H2,(H,10,13,14)
InChIKey
UCBVELLBUAKUNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.98
TPSA
76.86

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.82
XLogP3
0.5
Consensus LogP
-0.42
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.66

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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