![CAS 870987-68-1 2-Propynyl [3-(Triethoxysilyl)propyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2258-jpgcontextbwfzdgvyfhjvb3r8mzaxmdv8aw1hz2uvanblz3xozdivagq3lzg5mzixmjywotc0mzgvudiyntguanbnfgmyymi1mzjjn2zhmjg0ndnjztq2mzq3zjhlzgq0owflzmm2mdi4mte1zwq2zju2otu3n2qxmzm0zje3mmexymq.jpeg)
CAS RN: 870987-68-1
2-Propynyl [3-(Triethoxysilyl)propyl]carbamate
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.20250616 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTP2258
- Purity/Analytical Methods: >90.0%(GC)
870987-68-1 / prop-2-ynyl N-(3-triethoxysilylpropyl)carbamate
Basic Information
CAS
870987-68-1
Multi CAS
Yes
Molecular Formula
C13H25NO5Si
Molecular Weight
303.430000
Exact Mass
303.150199
InChI
InChI=1S/C13H25NO5Si/c1-5-11-16-13(15)14-10-9-12-20(17-6-2,18-7-3)19-8-4/h1H,6-12H2,2-4H3,(H,14,15)
InChIKey
ZMASSMHNNATIBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.24
TPSA
66.02
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.78
Consensus LogP
1.71
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.43
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)
-3.3
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
1.5
