![CAS 1630906-73-8 tert-Butyl (3-oxobicyclo[3.2.1]octan-8-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630906-73-8.gif)
CAS RN: 1630906-73-8
tert-Butyl (3-oxobicyclo[3.2.1]octan-8-yl)carbamate
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.20260403 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-070755
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1630906-73-8 / tert-butyl N-(3-oxo-8-bicyclo[3.2.1]octanyl)carbamate
Basic Information
CAS
1630906-73-8
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
SMILES
CC(C)(C)OC(=O)NC1C2CCC1CC(=O)C2
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-11-8-4-5-9(11)7-10(15)6-8/h8-9,11H,4-7H2,1-3H3,(H,14,16)
InChIKey
UFRMIMOAWPURFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.61
TPSA
55.4
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
1.5
Consensus LogP
1.92
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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