![CAS 2007925-04-2 tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007925-04-2.png)
CAS RN: 2007925-04-2
tert-butyl 1-amino-5-azaspiro[2.3]hexane-5-carboxylate hydrochloride
- Product code: SSC-094749
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 | Hong Kong | Inquiry |
2007925-04-2 / tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate;hydrochloride
Basic Information
CAS
2007925-04-2
Multi CAS
No
Molecular Formula
C10H19ClN2O2
Molecular Weight
234.720000
Exact Mass
234.113506
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC2N.Cl
InChI
InChI=1S/C10H18N2O2.ClH/c1-9(2,3)14-8(13)12-5-10(6-12)4-7(10)11;/h7H,4-6,11H2,1-3H3;1H
InChIKey
CCBAPUSJIOYYHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.08
TPSA
55.56
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.38
Consensus LogP
1.33
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 2008714-39-2 ((1R,8S,9S)-BICYCLO[6.1.0]NON-4-YN-9-YL)METHYL 2-AMINOETHYLCARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2008714-39-2.png)