CAS RN: 4403-08-1
2,2′,2”,2”’,2””,2””’-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakisethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4403-08-1
- Purity/Analytical Methods: >99.0%
4403-08-1 / 2-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethanol
Basic Information
CAS
4403-08-1
Multi CAS
No
Molecular Formula
C15H30N6O6
Molecular Weight
390.440000
Exact Mass
390.222683
InChI
InChI=1S/C15H30N6O6/c22-7-1-19(2-8-23)13-16-14(20(3-9-24)4-10-25)18-15(17-13)21(5-11-26)6-12-27/h22-27H,1-12H2
InChIKey
XGXKWMBOZAECME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.8
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
6
Molar refractivity
98.98
TPSA
169.77
LogP / Solubility
WLOGP
-3.76
MLOGP
-3.28
XLogP3
-2.8
Consensus LogP
-3.28
Log S (ESOL)
0.93
Class (ESOL)
Highly soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-7.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 4395-65-7
- Product Code: starshine_CAS4395-65-7
- Purity/Analytical method: >99.0%
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