![CAS 59697-06-2 1-Propanol,3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]-oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59697-06-2.gif)
CAS RN: 59697-06-2
1-Propanol,3-[(1,1-dimethylethyl)amino]-2-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]-oxy]-
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260129 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260426 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250429 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250606 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS59697-06-2
- Purity/Analytical Methods: >99.0%
59697-06-2 / 3-(tert-butylamino)-2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
Basic Information
CAS
59697-06-2
Multi CAS
No
Molecular Formula
C13H24N4O3S
Molecular Weight
316.420000
Exact Mass
316.156912
InChI
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(9-18)20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
InChIKey
MAMSPDKEMJALRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.85
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
82.2
TPSA
79.74
LogP / Solubility
WLOGP
0.5
MLOGP
0.46
XLogP3
1.8
Consensus LogP
0.92
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
