![CAS 99513-17-4 5-broMo-1,2-diMethyl-1H-benzo[d]iMidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12719945.gif)
CAS RN: 99513-17-4
5-broMo-1,2-diMethyl-1H-benzo[d]iMidazole
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.20250705 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-213217
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
99513-17-4 / 5-bromo-1,2-dimethylbenzimidazole
Basic Information
CAS
99513-17-4
Multi CAS
No
Molecular Formula
BC9H9Rn2
Molecular Weight
225.080000
Exact Mass
223.994910
InChI
InChI=1S/C9H9BrN2/c1-6-11-8-5-7(10)3-4-9(8)12(6)2/h3-5H,1-2H3
InChIKey
KXQPLXMYJLKDMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
53.15
TPSA
17.82
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
2.5
Consensus LogP
2.49
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly 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)
-2.22
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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