![CAS 53104-32-8 (5-AMINO-2,2-DIMETHYL-[1,3]DIOXAN-5-YL)-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53104-32-8.gif)
CAS RN: 53104-32-8
(5-AMINO-2,2-DIMETHYL-[1,3]DIOXAN-5-YL)-METHANOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250309 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS53104-32-8
- Purity/Analytical Methods: >99.0%
53104-32-8 / (5-amino-2,2-dimethyl-1,3-dioxan-5-yl)methanol
Basic Information
CAS
53104-32-8
Multi CAS
No
Molecular Formula
C7H15NO3
Molecular Weight
161.200000
Exact Mass
161.105193
InChI
InChI=1S/C7H15NO3/c1-6(2)10-4-7(8,3-9)5-11-6/h9H,3-5,8H2,1-2H3
InChIKey
FZKNPLIAARFREX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.99
TPSA
64.71
LogP / Solubility
WLOGP
-0.54
MLOGP
-0.48
XLogP3
-1.3
Consensus LogP
-0.77
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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