![CAS 1330765-01-9 Tert-Butyl 3-Bromo-8,9-Dihydro-5H-Imidazo[1,2-D][1,4]Diazepine-7(6H)-Carboxylate(WX141022) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1330765-01-9.gif)
CAS RN: 1330765-01-9
Tert-Butyl 3-Bromo-8,9-Dihydro-5H-Imidazo[1,2-D][1,4]Diazepine-7(6H)-Carboxylate(WX141022)
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.20250406 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-039760
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 |
1330765-01-9 / tert-butyl 3-bromo-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxylate
Basic Information
CAS
1330765-01-9
Multi CAS
No
Molecular Formula
C12H18BrN3O2
Molecular Weight
316.190000
Exact Mass
315.058240
SMILES
CC(C)(C)OC(=O)N1CCC2=NC=C(N2CC1)Br
InChI
InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)15-5-4-10-14-8-9(13)16(10)7-6-15/h8H,4-7H2,1-3H3
InChIKey
VPOJINOXLDKIJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.44
TPSA
47.36
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
1.9
Consensus LogP
2.17
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
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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