![CAS 1187173-33-6 2-(Propan-2-yl)-2,8-diazaspiro[4.5]decan-1-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187173-33-6.gif)
CAS RN: 1187173-33-6
2-(Propan-2-yl)-2,8-diazaspiro[4.5]decan-1-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250315 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187173-33-6
- Purity/Analytical Methods: >99.0%
1187173-33-6 / 2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
2-(Propan-2-yl)-2,8-diazaspiro[4.5]decan-1-one hydrochloride | 2-ISOPROPYL-2,8-DIAZASPIRO[4.5]DECAN-1-ONE HYDROCHLORIDE | MFCD08461081
Basic Information
CAS
1187173-33-6
Multi CAS
No
Molecular Formula
C11H21ClN2O
Molecular Weight
232.750000
Exact Mass
232.134241
SMILES
CC(C)N1CCC2(C1=O)CCNCC2.Cl
InChI
InChI=1S/C11H20N2O.ClH/c1-9(2)13-8-5-11(10(13)14)3-6-12-7-4-11;/h9,12H,3-8H2,1-2H3;1H
InChIKey
BFTFFYHCZLXYPH-UHFFFAOYSA-N
Synonyms
2-(Propan-2-yl)-2,8-diazaspiro[4.5]decan-1-one hydrochloride
2-ISOPROPYL-2,8-DIAZASPIRO[4.5]DECAN-1-ONE HYDROCHLORIDE
MFCD08461081
2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CHEMBL3497429
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.25
TPSA
32.34
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.42
Consensus LogP
1.36
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.13
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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