CAS RN: 71550-62-4
(3-CYANOBUTYL)METHYLDICHLOROSILANE
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.20260321 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS71550-62-4
- Purity/Analytical Methods: >99.0%
71550-62-4 / 4-[dichloro(methyl)silyl]-2-methylbutanenitrile
Basic Information
CAS
71550-62-4
Multi CAS
No
Molecular Formula
C6H11Cl2NSi
Molecular Weight
196.150000
Exact Mass
195.003781
SMILES
CC(CC[Si](C)(Cl)Cl)C#N
InChI
InChI=1S/C6H11Cl2NSi/c1-6(5-9)3-4-10(2,7)8/h6H,3-4H2,1-2H3
InChIKey
QXEHRYVMJYAQEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
47.53
TPSA
23.79
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
