![CAS 891-65-6 Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/891-65-6.gif)
CAS RN: 891-65-6
Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris-
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-200970
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
891-65-6 / 2-[[4,6-bis(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
Basic Information
CAS
891-65-6
Multi CAS
No
Molecular Formula
C9H15N3O6
Molecular Weight
261.230000
Exact Mass
261.096085
InChI
InChI=1S/C9H15N3O6/c13-1-4-16-7-10-8(17-5-2-14)12-9(11-7)18-6-3-15/h13-15H,1-6H2
InChIKey
SQCQIDASMGZZPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
57.57
TPSA
127.05
LogP / Solubility
WLOGP
-2.02
MLOGP
-1.77
XLogP3
-1.2
Consensus LogP
-1.66
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-5.74
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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