![CAS 1282514-63-9 IMidazo[1,2-d][1,4]benzoxazepine, 9-broMo-5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282514-63-9.gif)
CAS RN: 1282514-63-9
IMidazo[1,2-d][1,4]benzoxazepine, 9-broMo-5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]-
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.20250424 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1282514-63-9
- Purity/Analytical Methods: >99.0%
1282514-63-9 / 9-bromo-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Basic Information
CAS
1282514-63-9
Multi CAS
No
Molecular Formula
C17H18BrN5O
Molecular Weight
388.300000
Exact Mass
387.069470
SMILES
CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)Br)C(C)C
InChI
InChI=1S/C17H18BrN5O/c1-10(2)23-17(19-11(3)21-23)14-9-22-6-7-24-15-8-12(18)4-5-13(15)16(22)20-14/h4-5,8-10H,6-7H2,1-3H3
InChIKey
WLTNPZPMVAIRRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
95
TPSA
57.76
LogP / Solubility
WLOGP
3.85
MLOGP
3.41
XLogP3
2.9
Consensus LogP
3.39
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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