CAS RN: 209866-89-7
(2-N-BENZYLAMINOETHYL)-3-AMINOPROPYL-TRIMETHOXYSILANE,TECH-90
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 25g | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS209866-89-7
- Purity/Analytical Methods: >99.0%
209866-89-7 / N'-benzyl-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
Basic Information
CAS
209866-89-7
Multi CAS
No
Molecular Formula
C15H28N2O3Si
Molecular Weight
312.480000
Exact Mass
312.186919
SMILES
CO[Si](CCCNCCNCC1=CC=CC=C1)(OC)OC
InChI
InChI=1S/C15H28N2O3Si/c1-18-21(19-2,20-3)13-7-10-16-11-12-17-14-15-8-5-4-6-9-15/h4-6,8-9,16-17H,7,10-14H2,1-3H3
InChIKey
LRDRGASHPNRJHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.22
TPSA
51.75
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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