![CAS 1334499-87-4 2,7-Diazaspiro[4.5]decane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB73321736.gif)
CAS RN: 1334499-87-4
2,7-Diazaspiro[4.5]decane dihydrochloride
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.20260107 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1334499-87-4
- Purity/Analytical Methods: >99.0%
1334499-87-4 / 2,9-diazaspiro[4.5]decane;dihydrochloride
Basic Information
CAS
1334499-87-4
Multi CAS
No
Molecular Formula
C8H18Cl2N2
Molecular Weight
213.150000
Exact Mass
212.084704
SMILES
C1CC2(CCNC2)CNC1.Cl.Cl
InChI
InChI=1S/C8H16N2.2ClH/c1-2-8(6-9-4-1)3-5-10-7-8;;/h9-10H,1-7H2;2*1H
InChIKey
LHVVPDCZMCURSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.52
TPSA
24.06
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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