![CAS 1648868-97-6 (Meso-1R,5S,6S)-Tert-Butyl 6-(2-Hydroxyethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1648868-97-6.gif)
CAS RN: 1648868-97-6
(Meso-1R,5S,6S)-Tert-Butyl 6-(2-Hydroxyethyl)-3-Azabicyclo[3.1.0]Hexane-3-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.20250812 | 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-072059
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 |
1648868-97-6 / tert-butyl (1S,5R)-6-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
1648868-97-6
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2CCO
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-9-8(4-5-14)10(9)7-13/h8-10,14H,4-7H2,1-3H3/t8?,9-,10+
InChIKey
SSIJALKTEBLKKA-PBINXNQUSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.98
TPSA
49.77
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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