![CAS 1221791-74-7 8-Cyclohexyl-1-thia-4,8-diazaspiro[4.5]decane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42557784.gif)
CAS RN: 1221791-74-7
8-Cyclohexyl-1-thia-4,8-diazaspiro[4.5]decane hydrochloride
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.20251015 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1221791-74-7
- Purity/Analytical Methods: >99.0%
1221791-74-7 / 8-cyclohexyl-1-thia-4,8-diazaspiro[4.5]decane;hydrochloride
Basic Information
CAS
1221791-74-7
Multi CAS
No
Molecular Formula
C13H25ClN2S
Molecular Weight
276.870000
Exact Mass
276.142698
SMILES
C1CCC(CC1)N2CCC3(CC2)NCCS3.Cl
InChI
InChI=1S/C13H24N2S.ClH/c1-2-4-12(5-3-1)15-9-6-13(7-10-15)14-8-11-16-13;/h12,14H,1-11H2;1H
InChIKey
VSYDLXRQTLLTKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.12
TPSA
15.27
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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