![CAS 1385696-68-3 1-Cbz-1,8-diazaspiro[4.5]decane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82615149(1).gif)
CAS RN: 1385696-68-3
1-Cbz-1,8-diazaspiro[4.5]decane hydrochloride
- Product code: SSC-048575
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 | Shenzhen | Inquiry |
1385696-68-3 / benzyl 1,8-diazaspiro[4.5]decane-1-carboxylate;hydrochloride
Basic Information
CAS
1385696-68-3
Multi CAS
No
Molecular Formula
C16H23ClN2O2
Molecular Weight
310.820000
Exact Mass
310.144806
SMILES
C1CC2(CCNCC2)N(C1)C(=O)OCC3=CC=CC=C3.Cl
InChI
InChI=1S/C16H22N2O2.ClH/c19-15(20-13-14-5-2-1-3-6-14)18-12-4-7-16(18)8-10-17-11-9-16;/h1-3,5-6,17H,4,7-13H2;1H
InChIKey
FIQZCNCKMGHANL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.65
TPSA
41.57
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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)
-2.51
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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![CAS 1385826-87-8 9-[4′-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)[1,1′-BIPHENYL]-3-YL]-9H-CARBAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1385826-87-8.gif)
