![CAS 1788044-12-1 tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788044-12-1.gif)
CAS RN: 1788044-12-1
tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride
- Product code: SSC-079606
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 | Shanghai | Inquiry |
1788044-12-1 / tert-butyl N-(1-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
Basic Information
CAS
1788044-12-1
Multi CAS
No
Molecular Formula
C11H21ClN2O2
Molecular Weight
248.750000
Exact Mass
248.129156
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CCN2.Cl
InChI
InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-6-11(7-8)4-5-12-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H
InChIKey
NOTAIHJBPKQTMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.99
TPSA
50.36
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.94
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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