CAS RN: 1965310-00-2
2,2-Dimethyl-1-oxa-8-aza-spiro[4.5]decane hydrochloride
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250926 |
1g |
Out of stock |
8-10 business days | Inquiry |
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Product code:
starshine_CAS1965310-00-2
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Purity/Analytical Methods:
>99.0%
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1965310-00-2 / 2,2-dimethyl-1-oxa-8-azaspiro[4.5]decane;hydrochloride
Standard CAS: 1965310-00-2
Multi CAS: No
Basic Information
CAS
1965310-00-2
Multi CAS
No
Molecular Formula
C10H20ClNO
Molecular Weight
205.720000
Exact Mass
205.123342
SMILES
CC1(CCC2(O1)CCNCC2)C.Cl
InChI
InChI=1S/C10H19NO.ClH/c1-9(2)3-4-10(12-9)5-7-11-8-6-10;/h11H,3-8H2,1-2H3;1H
InChIKey
OHEGWIXCRTZTRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.48
TPSA
21.26
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5