![CAS 1417551-40-6 tert-butyl 4-ethynylbicyclo[2.2.2]octan-1-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417551-40-6(2).gif)
CAS RN: 1417551-40-6
tert-butyl 4-ethynylbicyclo[2.2.2]octan-1-ylcarbamate
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.20250226 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-052375
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 |
1417551-40-6 / tert-butyl N-(4-ethynyl-1-bicyclo[2.2.2]octanyl)carbamate
Basic Information
CAS
1417551-40-6
Multi CAS
No
Molecular Formula
C15H23NO2
Molecular Weight
249.350000
Exact Mass
249.172879
SMILES
CC(C)(C)OC(=O)NC12CCC(CC1)(CC2)C#C
InChI
InChI=1S/C15H23NO2/c1-5-14-6-9-15(10-7-14,11-8-14)16-12(17)18-13(2,3)4/h1H,6-11H2,2-4H3,(H,16,17)
InChIKey
MRDQUTGLADPWES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.07
TPSA
38.33
LogP / Solubility
WLOGP
3.24
MLOGP
2.85
XLogP3
2.9
Consensus LogP
3
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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
Customers Also Viewed
-
![CAS 1417551-42-8 tert-butyl N-{1-formyl-2-oxabicyclo[2.2.2]octan-4-yl}carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl N-{1-formyl-2-oxabicyclo[2.2.2]octan-4-yl}carbamate
- CAS RN: 1417551-42-8
- Product Code: SSC-052376
-
6-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
- CAS RN: 1417553-73-1
- Product Code: SSC-052379
-
-
tert-butyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
- CAS RN: 1417556-03-6
- Product Code: SSC-052385
-
-
1-Bromo-3-chloro-5-(trifluoromethoxy)benzene
- CAS RN: 1417567-41-9
- Product Code: SSC-052388
![CAS 1417551-42-8 tert-butyl N-{1-formyl-2-oxabicyclo[2.2.2]octan-4-yl}carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417551-42-8.gif)
![CAS 1417553-73-1 6-bromo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417553-73-1.gif)
![CAS 1417555-18-0 4-chloro-6-methoxy-Pyrido[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417555-18-0.gif)
![CAS 1417556-03-6 tert-butyl N-[1-(hydroxymethyl)-2-oxabicyclo[2.2.2]octan-4-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417556-03-6.gif)
.gif)