![CAS 1385696-33-2 1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1385696-33-2.gif)
CAS RN: 1385696-33-2
1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1385696-33-2
- Purity/Analytical Methods: >99.0%
1385696-33-2 / 1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-2-one
Basic Information
CAS
1385696-33-2
Multi CAS
No
Molecular Formula
C12H20N2O
Molecular Weight
208.300000
Exact Mass
208.157563
SMILES
C1CC1CN2C(=O)CCC23CCNCC3
InChI
InChI=1S/C12H20N2O/c15-11-3-4-12(5-7-13-8-6-12)14(11)9-10-1-2-10/h10,13H,1-9H2
InChIKey
WSZYOLPTWHSMOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.51
TPSA
32.34
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.18
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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