![CAS 1390654-03-1 3-Methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1390654-03-1.gif)
CAS RN: 1390654-03-1
3-Methyl-1-oxa-3,7-diazaspiro[4.5]decan-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.20260526 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1390654-03-1
- Purity/Analytical Methods: >99.0%
1390654-03-1 / 3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one;hydrochloride
Basic Information
CAS
1390654-03-1
Multi CAS
No
Molecular Formula
C8H15ClN2O2
Molecular Weight
206.670000
Exact Mass
206.082205
SMILES
CN1CC2(CCCNC2)OC1=O.Cl
InChI
InChI=1S/C8H14N2O2.ClH/c1-10-6-8(12-7(10)11)3-2-4-9-5-8;/h9H,2-6H2,1H3;1H
InChIKey
UOSBWNLCQDPKCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.19
TPSA
41.57
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-(Chloromethyl)-1,3-dimethyl-1H-pyrazole hydrochloride
- CAS RN: 1390654-10-0
- Product Code: SSC-049187
-
2,9-Diazaspiro[5.5]undecan-3-one dihydrochloride
- CAS RN: 1390654-19-9
- Product Code: SSC-049188
-
KRN2
- CAS RN: 1390654-28-0
- Product Code: starshine_CAS1390654-28-0
- Purity/Analytical method: >99.0%
-
2-(2-Chloroethyl)-1-methyl-1H-imidazole hydrochloride
- CAS RN: 1390654-72-4
- Product Code: SSC-049189
-
3-(Bromomethyl)-1-methylpyrrolidine hydrobromide
- CAS RN: 1390654-77-9
- Product Code: SSC-049190
-
.gif)
![CAS 1390654-19-9 2,9-Diazaspiro[5.5]undecan-3-one dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1390654-19-9.gif)
