![CAS 958451-84-8 1,4-Dithia-7-aza-spiro[4.5]decane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/958451-84-8.gif)
CAS RN: 958451-84-8
1,4-Dithia-7-aza-spiro[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.20260619 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS958451-84-8
- Purity/Analytical Methods: >99.0%
958451-84-8 / 1,4-dithia-9-azaspiro[4.5]decane;hydrochloride
Basic Information
CAS
958451-84-8
Multi CAS
No
Molecular Formula
C7H14CLNS2
Molecular Weight
211.800000
Exact Mass
211.025620
InChI
InChI=1S/C7H13NS2.ClH/c1-2-7(6-8-3-1)9-4-5-10-7;/h8H,1-6H2;1H
InChIKey
WWUSHZFMPSKSHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57
TPSA
12.03
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.97
Consensus LogP
1.89
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.61
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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