![CAS 1282517-42-3 9-FLUORO-2-IODO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282517-42-3.gif)
CAS RN: 1282517-42-3
9-FLUORO-2-IODO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251218 | 50mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1282517-42-3
- Purity/Analytical Methods: >99.0%
1282517-42-3 / 9-fluoro-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Basic Information
CAS
1282517-42-3
Multi CAS
No
Molecular Formula
C11H8FIN2O
Molecular Weight
330.100000
Exact Mass
329.966540
SMILES
C1COC2=C(C=CC(=C2)F)C3=NC(=CN31)I
InChI
InChI=1S/C11H8FIN2O/c12-7-1-2-8-9(5-7)16-4-3-15-6-10(13)14-11(8)15/h1-2,5-6H,3-4H2
InChIKey
OFYSVUWJIRLISM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
H-bond acceptors
3
Molar refractivity
65.83
TPSA
27.05
LogP / Solubility
WLOGP
2.69
MLOGP
2.38
XLogP3
2.1
Consensus LogP
2.39
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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