CAS RN: 58052-80-5
Acetaldehyde Ammonia Trimer
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-166264
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: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
58052-80-5 / 2,4,6-trimethyl-1,3,5-triazinane;trihydrate
Basic Information
CAS
58052-80-5
Multi CAS
Yes
Molecular Formula
C6H21N3O3
Molecular Weight
183.250000
Exact Mass
183.158292
InChI
InChI=1S/C6H15N3.3H2O/c1-4-7-5(2)9-6(3)8-4;;;/h4-9H,1-3H3;3*1H2
InChIKey
VNJBGAOFYNEMRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.63
TPSA
130.59
LogP / Solubility
WLOGP
-2.67
MLOGP
-2.35
XLogP3
-2.67
Consensus LogP
-2.56
Log S (ESOL)
0.7
Class (ESOL)
Highly soluble
Log S (Ali)
0.86
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.36
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)
-5.73
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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