![CAS 2305079-38-1 9-Oxa-1,4-diaza-spiro[5.5]undecane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2305079-38-1.gif)
CAS RN: 2305079-38-1
9-Oxa-1,4-diaza-spiro[5.5]undecane dihydrochloride
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS2305079-38-1
- Purity/Analytical Methods: >99.0%
2305079-38-1 / 9-oxa-1,4-diazaspiro[5.5]undecane;dihydrochloride
Basic Information
CAS
2305079-38-1
Multi CAS
No
Molecular Formula
C8H18Cl2N2O
Molecular Weight
229.140000
Exact Mass
228.079619
SMILES
C1COCCC12CNCCN2.Cl.Cl
InChI
InChI=1S/C8H16N2O.2ClH/c1-5-11-6-2-8(1)7-9-3-4-10-8;;/h9-10H,1-7H2;2*1H
InChIKey
YQFFRNMWDNQEGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.15
TPSA
33.29
LogP / Solubility
WLOGP
0.57
MLOGP
0.51
XLogP3
0.57
Consensus LogP
0.55
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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