![CAS 1159822-20-4 1,8-DIAZA-SPIRO[4.5]DECANE 2HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159822-20-4.gif)
CAS RN: 1159822-20-4
1,8-DIAZA-SPIRO[4.5]DECANE 2HCL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS1159822-20-4
- Purity/Analytical Methods: >99.0%
1159822-20-4 / 1,8-diazaspiro[4.5]decane;dihydrochloride
1,8-Diazaspiro[4.5]decane dihydrochloride | 1,8-Diaza-spiro[4.5]decane 2HCl | 1,8-diazaspiro[4.5]decane;dihydrochloride
Basic Information
CAS
1159822-20-4
Multi CAS
No
Molecular Formula
C8H18Cl2N2
Molecular Weight
213.150000
Exact Mass
212.084704
SMILES
C1CC2(CCNCC2)NC1.Cl.Cl
InChI
InChI=1S/C8H16N2.2ClH/c1-2-8(10-5-1)3-6-9-7-4-8;;/h9-10H,1-7H2;2*1H
InChIKey
UPHOLJXKVDTBGG-UHFFFAOYSA-N
Synonyms
1,8-Diazaspiro[4.5]decane dihydrochloride
1,8-Diaza-spiro[4.5]decane 2HCl
1,8-diazaspiro[4.5]decane;dihydrochloride
MFCD11501293
1,8-Diazaspiro[4.5]decane, hydrochloride (1:2)
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.57
TPSA
24.06
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.07
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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