![CAS 1086394-65-1 benzyl 2,8-diazaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086394-65-1.gif)
CAS RN: 1086394-65-1
benzyl 2,8-diazaspiro[4.5]decane-8-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1086394-65-1
- Purity/Analytical Methods: >99.0%
1086394-65-1 / benzyl 2,8-diazaspiro[4.5]decane-8-carboxylate
benzyl 2,8-diazaspiro[4.5]decane-8-carboxylate | 8-CBZ-2,8-DIAZA-SPIRO[4.5]DECANE | MFCD11223499
Basic Information
CAS
1086394-65-1
Multi CAS
No
Molecular Formula
C16H22N2O2
Molecular Weight
274.360000
Exact Mass
274.168128
SMILES
C1CNCC12CCN(CC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O2/c19-15(20-12-14-4-2-1-3-5-14)18-10-7-16(8-11-18)6-9-17-13-16/h1-5,17H,6-13H2
InChIKey
PGQNBTSBRFXDOK-UHFFFAOYSA-N
Synonyms
benzyl 2,8-diazaspiro[4.5]decane-8-carboxylate
8-CBZ-2,8-DIAZA-SPIRO[4.5]DECANE
MFCD11223499
SCHEMBL13805600
DTXSID60727802
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.35
TPSA
41.57
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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