![CAS 1332529-85-7 9-Methyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1332529-85-7.gif)
CAS RN: 1332529-85-7
9-Methyl-1-oxa-9-azaspiro[5.5]undec-4-yl methanesulfonate 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.20260507 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1332529-85-7
- Purity/Analytical Methods: >99.0%
1332529-85-7 / (9-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl) methanesulfonate;hydrochloride
Basic Information
CAS
1332529-85-7
Multi CAS
No
Molecular Formula
C11H22ClNO4S
Molecular Weight
299.820000
Exact Mass
299.095807
SMILES
CN1CCC2(CC1)CC(CCO2)OS(=O)(=O)C.Cl
InChI
InChI=1S/C11H21NO4S.ClH/c1-12-6-4-11(5-7-12)9-10(3-8-15-11)16-17(2,13)14;/h10H,3-9H2,1-2H3;1H
InChIKey
OFKKRPHLKLFGCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.61
TPSA
55.84
LogP / Solubility
WLOGP
1.03
MLOGP
0.92
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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