![CAS 1523606-48-5 7-THIA-2-AZASPIRO[3.5]NONANE HEMIOXALATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523606-48-5.gif)
CAS RN: 1523606-48-5
7-THIA-2-AZASPIRO[3.5]NONANE HEMIOXALATE
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.20250502 | 100mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1523606-48-5
- Purity/Analytical Methods: >99.0%
1523606-48-5 / oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)
Basic Information
CAS
1523606-48-5
Multi CAS
No
Molecular Formula
C16H28N2O4S2
Molecular Weight
376.500000
Exact Mass
376.149050
SMILES
C1CSCCC12CNC2.C1CSCCC12CNC2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C7H13NS.C2H2O4/c2*1-3-9-4-2-7(1)5-8-6-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChIKey
FWSZYWBHRALDHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
99
TPSA
98.66
LogP / Solubility
WLOGP
1.36
MLOGP
1.22
XLogP3
1.36
Consensus LogP
1.31
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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