CAS RN: 21568-87-6
(S)-3-AMINO-HEXAHYDRO-2-AZEPINONE
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.20260502 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260131 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250823 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250424 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260414 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS21568-87-6
- Purity/Analytical Methods: >99.0%
21568-87-6 / (3S)-3-aminoazepan-2-one
Basic Information
CAS
21568-87-6
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
C1CCNC(=O)[C@H](C1)N
InChI
InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey
BOWUOGIPSRVRSJ-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.84
TPSA
55.12
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.35
XLogP3
-0.5
Consensus LogP
-0.41
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
Class (SILICOS-IT)
Very 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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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