CAS RN: 130065-61-1
Azaspirane)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250928 | 25mg | Out of stock | Inquiry |
- Product code: starshine_CAS130065-61-1
- Purity/Analytical Methods: >99.0%
130065-61-1 / 3-(8,8-dipropyl-2-azaspiro[4.5]decan-2-yl)-N,N-diethylpropan-1-amine;dihydrochloride
Basic Information
CAS
130065-61-1
Multi CAS
No
Molecular Formula
C22H46Cl2N2
Molecular Weight
409.500000
Exact Mass
408.303805
SMILES
CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC.Cl.Cl
InChI
InChI=1S/C22H44N2.2ClH/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4;;/h5-20H2,1-4H3;2*1H
InChIKey
MOUZYBYTICOTFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
121.11
TPSA
6.48
LogP / Solubility
WLOGP
6.41
MLOGP
5.67
XLogP3
6.41
Consensus LogP
6.16
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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