![CAS 1401305-32-5 10-BROMO-9-FLUORO-2-IODO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1401305-32-5(2).gif)
CAS RN: 1401305-32-5
10-BROMO-9-FLUORO-2-IODO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE
- Product code: SSC-050622
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1401305-32-5 / 10-bromo-9-fluoro-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Basic Information
CAS
1401305-32-5
Multi CAS
No
Molecular Formula
C11H7BrFIN2O
Molecular Weight
408.990000
Exact Mass
407.877050
SMILES
C1COC2=CC(=C(C=C2C3=NC(=CN31)I)Br)F
InChI
InChI=1S/C11H7BrFIN2O/c12-7-3-6-9(4-8(7)13)17-2-1-16-5-10(14)15-11(6)16/h3-5H,1-2H2
InChIKey
PJELOMRFWGRHOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
H-bond acceptors
3
Molar refractivity
73.53
TPSA
27.05
LogP / Solubility
WLOGP
3.45
MLOGP
3.06
XLogP3
2.8
Consensus LogP
3.1
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
Yes
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1401334-36-8 2-chloro-4-(morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1401334-36-8(2).gif)
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