![CAS 56929-77-2 2-(2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDEC-1-YLOXY)ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56929-77-2.gif)
CAS RN: 56929-77-2
2-(2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDEC-1-YLOXY)ETHANOL
- Product code: SSC-164963
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
56929-77-2 / 2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)ethanol
Basic Information
CAS
56929-77-2
Multi CAS
Yes
Molecular Formula
C8H17NO5Si
Molecular Weight
235.310000
Exact Mass
235.087599
InChI
InChI=1S/C8H17NO5Si/c10-4-8-14-15-11-5-1-9(2-6-12-15)3-7-13-15/h10H,1-8H2
InChIKey
JVOMIJYJKIUFIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
53.09
TPSA
60.39
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.04
XLogP3
-1.19
Consensus LogP
-1.14
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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