![CAS 75776-79-3 1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75776-79-3.gif)
CAS RN: 75776-79-3
1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid hydrobromide
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.20251108 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS75776-79-3
- Purity/Analytical Methods: >99.0%
75776-79-3 / (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrobromide
Basic Information
CAS
75776-79-3
Multi CAS
Yes
Molecular Formula
BC7H12O2RnS2
Molecular Weight
286.200000
Exact Mass
284.949280
InChI
InChI=1S/C7H11NO2S2.BrH/c9-6(10)5-3-7(4-8-5)11-1-2-12-7;/h5,8H,1-4H2,(H,9,10);1H/t5-;/m0./s1
InChIKey
DXALUCGGSBGKIY-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.01
TPSA
49.33
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
1.19
Consensus LogP
1.14
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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