CAS RN: 145485-58-1
2H-1-BENZAZEPIN-2-ONE, 6-FLUORO-1,3,4,5-TETRAHYDRO-
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.20260605 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS145485-58-1
- Purity/Analytical Methods: >99.0%
145485-58-1 / 6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Basic Information
CAS
145485-58-1
Multi CAS
No
Molecular Formula
C10H10FNO
Molecular Weight
179.190000
Exact Mass
179.074642
SMILES
C1CC2=C(C=CC=C2F)NC(=O)C1
InChI
InChI=1S/C10H10FNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13)
InChIKey
OISQPDAXCFWYTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.97
TPSA
29.1
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately 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)
-2.32
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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