CAS RN: 74113-77-2
(AMINOETHYLAMINOMETHYL)PHENETHYLTRIMETHOXYSILANE
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.20250503 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS74113-77-2
- Purity/Analytical Methods: >99.0%
74113-77-2 / N'-[[4-(2-trimethoxysilylethyl)phenyl]methyl]ethane-1,2-diamine
Basic Information
CAS
74113-77-2
Multi CAS
Yes
Molecular Formula
C14H26N2O3Si
Molecular Weight
298.450000
Exact Mass
298.171269
InChI
InChI=1S/C31H46N2O6/c1-26(2)14-20(15-27(3,4)32-26)38-24(36)31(18-22(34)30(23(35)19-31)12-10-9-11-13-30)25(37)39-21-16-28(5,6)33-29(7,8)17-21/h9-12,20-21,32-33H,13-19H2,1-8H3
InChIKey
IIZYNJMWYJKDJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.5
TPSA
65.74
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
1.16
Consensus LogP
1.12
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.76
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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