CAS RN: 55648-29-8
3-(3-AMINOPHENOXY)PROPYLTRIMETHOXYSILANE
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.20260419 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55648-29-8
- Purity/Analytical Methods: >99.0%
55648-29-8 / 4-(3-trimethoxysilylpropoxy)aniline
Basic Information
CAS
55648-29-8
Multi CAS
Yes
Molecular Formula
C12H21NO4Si
Molecular Weight
271.380000
Exact Mass
271.123985
InChI
InChI=1S/C12H21NO4Si/c1-14-18(15-2,16-3)10-4-9-17-12-7-5-11(13)6-8-12/h5-8H,4,9-10,13H2,1-3H3
InChIKey
FGYPEIBVFQOQKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.55
TPSA
62.94
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.92
Consensus LogP
1.84
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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