![CAS 1307254-47-2 Tert-Butyl 3-Hydroxy-3-Phenyl-8-Azabicyclo[3.2.1]Octane-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1307254-47-2.gif)
CAS RN: 1307254-47-2
Tert-Butyl 3-Hydroxy-3-Phenyl-8-Azabicyclo[3.2.1]Octane-8-Carboxylate
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.20251203 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037302
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 |
1307254-47-2 / tert-butyl 3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxylate
Basic Information
CAS
1307254-47-2
Multi CAS
No
Molecular Formula
C18H25NO3
Molecular Weight
303.400000
Exact Mass
303.183444
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H25NO3/c1-17(2,3)22-16(20)19-14-9-10-15(19)12-18(21,11-14)13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3
InChIKey
JLINYSUXYOSNFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.46
TPSA
49.77
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
2.9
Consensus LogP
3.13
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5
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