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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
17947-99-8 / 11-bromoundecyl(trimethoxy)silane
Basic Information
CAS
17947-99-8
Multi CAS
No
Molecular Formula
C14H31BrO3Si
Molecular Weight
355.380000
Exact Mass
354.122580
SMILES
CO[Si](CCCCCCCCCCCBr)(OC)OC
InChI
InChI=1S/C14H31BrO3Si/c1-16-19(17-2,18-3)14-12-10-8-6-4-5-7-9-11-13-15/h4-14H2,1-3H3
InChIKey
FSLTZSGOMGZUJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
86.94
TPSA
27.69
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.77
Consensus LogP
4.59
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.61
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
11-CHLOROUNDECYLTRIMETHOXYSILANE
- CAS RN: 17948-05-9
- Product Code: starshine_CAS17948-05-9
- Purity/Analytical method: >99.0%
-
(6S,7R)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridin-6-ol
- CAS RN: 17948-42-4
- Product Code: starshine_CAS17948-42-4
- Purity/Analytical method: >99.0%
-
-
-
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
- CAS RN: 17952-82-8
- Product Code: SSC-079957
-
6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
- CAS RN: 17952-83-9
- Product Code: SSC-079958
![CAS 17948-42-4 (6S,7R)-6,7-Dihydro-7-methyl-5H-cyclopenta[c]pyridin-6-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17948-42-4.gif)
![CAS 17952-82-8 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17952-82-8.gif)
![CAS 17952-83-9 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17952-83-9.gif)