![CAS 1038408-36-4 6-bromo-1-isopropyl-2-methyl-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038408-36-4.gif)
CAS RN: 1038408-36-4
6-bromo-1-isopropyl-2-methyl-1H-benzo[d]imidazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-005463
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1038408-36-4 / 6-bromo-2-methyl-1-propan-2-ylbenzimidazole
6-bromo-1-isopropyl-2-methyl-1H-benzo[d]imidazole | 6-bromo-2-methyl-1-propan-2-ylbenzimidazole | MFCD11113090
Basic Information
CAS
1038408-36-4
Multi CAS
No
Molecular Formula
C11H13BrN2
Molecular Weight
253.140000
Exact Mass
252.026210
SMILES
CC1=NC2=C(N1C(C)C)C=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2/c1-7(2)14-8(3)13-10-5-4-9(12)6-11(10)14/h4-7H,1-3H3
InChIKey
MKUUBENODRVHTB-UHFFFAOYSA-N
Synonyms
6-bromo-1-isopropyl-2-methyl-1H-benzo[d]imidazole
6-bromo-2-methyl-1-propan-2-ylbenzimidazole
MFCD11113090
6-Bromo-1-isopropyl-2-methyl-1H-benzimidazole
6-bromo-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.56
TPSA
17.82
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
3.2
Consensus LogP
3.38
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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