![CAS 2173991-85-8 tert-butyl 2-(2-aminoethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173991-85-8.png)
CAS RN: 2173991-85-8
tert-butyl 2-(2-aminoethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate dihydrochloride
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.20250127 | 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-104929
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 | Shanghai | Inquiry |
2173991-85-8 / tert-butyl 2-(2-aminoethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;dihydrochloride
Basic Information
CAS
2173991-85-8
Multi CAS
No
Molecular Formula
C14H29Cl2N3O2
Molecular Weight
342.300000
Exact Mass
341.163683
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CN(C2)CCN.Cl.Cl
InChI
InChI=1S/C14H27N3O2.2ClH/c1-13(2,3)19-12(18)17-7-4-14(5-8-17)10-16(11-14)9-6-15;;/h4-11,15H2,1-3H3;2*1H
InChIKey
CFZPAXCNWXKRPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.46
TPSA
58.8
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly 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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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