CAS RN: 1823872-70-3
5-Fluoroazepan-4-One Hydrochloride(WX601136)
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.20250409 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823872-70-3
- Purity/Analytical Methods: >99.0%
1823872-70-3 / 5-fluoroazepan-4-one;hydrochloride
Basic Information
CAS
1823872-70-3
Multi CAS
No
Molecular Formula
C6H11ClFNO
Molecular Weight
167.610000
Exact Mass
167.051320
SMILES
C1CNCCC(=O)C1F.Cl
InChI
InChI=1S/C6H10FNO.ClH/c7-5-1-3-8-4-2-6(5)9;/h5,8H,1-4H2;1H
InChIKey
PXQUNVLDVYVOTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.25
TPSA
29.1
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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
2
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