![CAS 1239879-65-2 1H-[1,4]Diazepino[1,7-a]benziMidazole, 8-broMo-2,3,4,5-tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1239879-65-2.gif)
CAS RN: 1239879-65-2
1H-[1,4]Diazepino[1,7-a]benziMidazole, 8-broMo-2,3,4,5-tetrahydro-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250604 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260422 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250930 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250913 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251001 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1239879-65-2
- Purity/Analytical Methods: >99.0%
1239879-65-2 / 8-bromo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
Basic Information
CAS
1239879-65-2
Multi CAS
No
Molecular Formula
C11H12BrN3
Molecular Weight
266.140000
Exact Mass
265.021460
SMILES
C1CNCCN2C1=NC3=C2C=CC(=C3)Br
InChI
InChI=1S/C11H12BrN3/c12-8-1-2-10-9(7-8)14-11-3-4-13-5-6-15(10)11/h1-2,7,13H,3-6H2
InChIKey
DHTJJTCCCMAFGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.01
TPSA
29.85
LogP / Solubility
WLOGP
1.94
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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