![CAS 1282516-69-1 IMidazo[1,2-d][1,4]benzoxazepine,9-broMo-5,6-dihydro-2-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282516-69-1.gif)
CAS RN: 1282516-69-1
IMidazo[1,2-d][1,4]benzoxazepine,9-broMo-5,6-dihydro-2-iodo-
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-035556
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
1282516-69-1 / 9-bromo-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Basic Information
CAS
1282516-69-1
Multi CAS
No
Molecular Formula
C11H8BrIN2O
Molecular Weight
391.000000
Exact Mass
389.886470
SMILES
C1COC2=C(C=CC(=C2)Br)C3=NC(=CN31)I
InChI
InChI=1S/C11H8BrIN2O/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
SMHDMAYAZJZZHS-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
73.58
TPSA
27.05
LogP / Solubility
WLOGP
3.31
MLOGP
2.94
XLogP3
2.7
Consensus LogP
2.98
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-2.76
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
Customers Also Viewed
-
![CAS 1282516-77-1 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-
- CAS RN: 1282516-77-1
- Product Code: starshine_CAS1282516-77-1
- Purity/Analytical method: >99.0%
-
9-FLUORO-2-IODO-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE
- CAS RN: 1282517-42-3
- Product Code: starshine_CAS1282517-42-3
- Purity/Analytical method: >99.0%
-
1-Isopropyl-1H-pyrazole-5-boronic acid, pinacol ester
- CAS RN: 1282518-60-8
- Product Code: SSC-035557
-
1H-Pyrazole-1-acetaMide, α,α-diMethyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1282518-81-3
- Product Code: SSC-035559
-
1-[(Methylsulfonyl)Methyl]-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1282530-99-7
- Product Code: SSC-035564
-
4,4-difluoro-6-azaspiro[2.5]octane hydrochloride
- CAS RN: 1282532-00-6
- Product Code: SSC-035565
![CAS 1282516-77-1 1H-IMidazole-1-ethanol, 2-(4-broMo-2-fluorophenyl)-4-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282516-77-1.gif)
![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 1282530-99-7 1-[(Methylsulfonyl)Methyl]-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282530-99-7.gif)
![CAS 1282532-00-6 4,4-difluoro-6-azaspiro[2.5]octane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282532-00-6.gif)