![CAS 1390655-03-4 3-Methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1390655-03-4.gif)
CAS RN: 1390655-03-4
3-Methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1390655-03-4
- Purity/Analytical Methods: >99.0%
1390655-03-4 / 3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one;hydrochloride
Basic Information
CAS
1390655-03-4
Multi CAS
No
Molecular Formula
C7H13ClN2O2
Molecular Weight
192.640000
Exact Mass
192.066555
SMILES
CN1CC2(CCNC2)OC1=O.Cl
InChI
InChI=1S/C7H12N2O2.ClH/c1-9-5-7(11-6(9)10)2-3-8-4-7;/h8H,2-5H2,1H3;1H
InChIKey
HCDNRQGVLRCRKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.58
TPSA
41.57
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
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)
-3.74
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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