CAS RN: 50492-23-4
4H-AZEPIN-4-ONE, 1-ACETYLHEXAHYDRO-
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.20251023 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS50492-23-4
- Purity/Analytical Methods: >99.0%
50492-23-4 / 1-acetylazepan-4-one
Basic Information
CAS
50492-23-4
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-7(10)9-5-2-3-8(11)4-6-9/h2-6H2,1H3
InChIKey
OWNWLPCYZFLIHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
41.11
TPSA
37.38
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
-0.5
Consensus LogP
0.2
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.25
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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- CAS RN: 50493-39-5
- Product Code: starshine_CAS50493-39-5
- Purity/Analytical method: >99.0%
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