![CAS 1621184-23-3 1-[3-(2-aminoethyl)-3-aminoisobutyl]-1,1,3,3,3-pentaethoxy-1,3-disilapropane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1621184-23-3.gif)
CAS RN: 1621184-23-3
1-[3-(2-aminoethyl)-3-aminoisobutyl]-1,1,3,3,3-pentaethoxy-1,3-disilapropane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260112 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1621184-23-3
- Purity/Analytical Methods: >99.0%
1621184-23-3 / N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
Basic Information
CAS
1621184-23-3
Multi CAS
No
Molecular Formula
C17H42N2O5Si2
Molecular Weight
410.700000
Exact Mass
410.263226
SMILES
CCO[Si](CC(C)CNCCN)(C[Si](OCC)(OCC)OCC)OCC
InChI
InChI=1S/C17H42N2O5Si2/c1-7-20-25(21-8-2,15-17(6)14-19-13-12-18)16-26(22-9-3,23-10-4)24-11-5/h17,19H,7-16,18H2,1-6H3
InChIKey
AZPILJCPSKBEHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.34
TPSA
84.2
LogP / Solubility
WLOGP
2.27
MLOGP
2.03
XLogP3
2.27
Consensus LogP
2.19
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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