![CAS 227940-71-8 7-BENZYL-3-BOC-3,7-DIAZABICYCLO[3.3.1]NONANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/227940-71-8.gif)
CAS RN: 227940-71-8
7-BENZYL-3-BOC-3,7-DIAZABICYCLO[3.3.1]NONANE
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.20260122 | 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-110984
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
227940-71-8 / tert-butyl (1S,5R)-7-benzyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
Basic Information
CAS
227940-71-8
Multi CAS
No
Molecular Formula
C19H28N2O2
Molecular Weight
316.400000
Exact Mass
316.215078
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-13-16-9-17(14-21)12-20(11-16)10-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3
InChIKey
JFLCCGFMLBSXBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.12
TPSA
32.78
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.15
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-2.25
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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![CAS 227940-72-9 tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/227940-72-9.gif)
