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CAS 645-93-2 Ammelide molecular structure lightbox
CAS RN: 645-93-2

Ammelide

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 1g In stock Inquiry
Batchno.20260519 200mg In stock Inquiry
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Batchno.20260211 1g In stock Shanghai, Hebei Inquiry
Batchno.20250904 200mg In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20260425 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260219 1g In stock Shanghai Inquiry
Batchno.20250324 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251209 5g In stock Shanghai Inquiry
  • Product code: ICTA0645
  • Purity/Analytical Methods: >98.0%(T)
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645-93-2 / 6-amino-1H-1,3,5-triazine-2,4-dione

Standard CAS: 645-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
645-93-2
Multi CAS
Yes
Molecular Formula
C3H4N4O2
Molecular Weight
128.090000
Exact Mass
128.033425
InChI
InChI=1S/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
InChIKey
YSKUZVBSHIWEFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
29.89
TPSA
104.63

LogP / Solubility

WLOGP
-1.96
MLOGP
-1.73
XLogP3
-1.5
Consensus LogP
-1.73
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.13
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)
-4.89

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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