![CAS 2097974-60-0 2-methyl-2,7-diazaspiro[4.4]nonan-3-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2097974-60-0.png)
CAS RN: 2097974-60-0
2-methyl-2,7-diazaspiro[4.4]nonan-3-one hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260609 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS2097974-60-0
- Purity/Analytical Methods: >99.0%
2097974-60-0 / 2-methyl-2,7-diazaspiro[4.4]nonan-3-one;hydrochloride
Basic Information
CAS
2097974-60-0
Multi CAS
No
Molecular Formula
C8H15ClN2O
Molecular Weight
190.670000
Exact Mass
190.087291
SMILES
CN1CC2(CCNC2)CC1=O.Cl
InChI
InChI=1S/C8H14N2O.ClH/c1-10-6-8(4-7(10)11)2-3-9-5-8;/h9H,2-6H2,1H3;1H
InChIKey
OMRDCYBKSKPVDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.42
TPSA
32.34
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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