CAS RN: 69952-89-2
N,N’-bis(3-triethoxysilylpropyl)thiourea
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.20251012 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69952-89-2
- Purity/Analytical Methods: >99.0%
69952-89-2 / 1,3-bis(3-triethoxysilylpropyl)thiourea
Basic Information
CAS
69952-89-2
Multi CAS
Yes
Molecular Formula
C19H44N2O6SSi2
Molecular Weight
484.800000
Exact Mass
484.245861
InChI
InChI=1S/C19H44N2O6SSi2/c1-7-22-29(23-8-2,24-9-3)17-13-15-20-19(28)21-16-14-18-30(25-10-4,26-11-5)27-12-6/h7-18H2,1-6H3,(H2,20,21,28)
InChIKey
CHKNQQMXFCNQQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
7
H-bond donors
2
Molar refractivity
128.72
TPSA
79.44
LogP / Solubility
WLOGP
3.33
MLOGP
2.96
XLogP3
3.33
Consensus LogP
3.21
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
-
6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
- CAS RN: 69958-53-8
- Product Code: SSC-179727
-
![CAS 69958-53-8 6-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69958-53-8.gif)
