![CAS 947534-12-5 1,4-Dithia-8-aza-spiro[4.6]undecane, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/947534-12-5.gif)
CAS RN: 947534-12-5
1,4-Dithia-8-aza-spiro[4.6]undecane, 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.20250603 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS947534-12-5
- Purity/Analytical Methods: >99.0%
947534-12-5 / 1,4-dithia-9-azaspiro[4.6]undecane;hydrochloride
Basic Information
CAS
947534-12-5
Multi CAS
No
Molecular Formula
C8H16CLNS2
Molecular Weight
225.800000
Exact Mass
225.041270
InChI
InChI=1S/C8H15NS2.ClH/c1-2-8(3-5-9-4-1)10-6-7-11-8;/h9H,1-7H2;1H
InChIKey
INUFMGOPPCKPMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.62
TPSA
12.03
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
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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![CAS 947601-81-2 DIEXO-3-AMINO-BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/947601-81-2.gif)
