CAS RN: 2073-32-7
Hexahydro-3-methyl-2H-azepin-2-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2073-32-7
- Purity/Analytical Methods: >99.0%
2073-32-7 / 3-methylazepan-2-one
Basic Information
CAS
2073-32-7
Multi CAS
No
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
SMILES
CC1CCCCNC1=O
InChI
InChI=1S/C7H13NO/c1-6-4-2-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)
InChIKey
FGSUUFDRDVJCLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.02
TPSA
29.1
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-2.84
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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