![CAS 1228183-22-9 1H-Benzo[d]imidazol-6-ylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228183-22-9.gif)
CAS RN: 1228183-22-9
1H-Benzo[d]imidazol-6-ylboronic acid
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.20250430 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260418 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260126 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260525 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260603 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-026341
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, 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.
1228183-22-9 / 3H-benzimidazol-5-ylboronic acid
Basic Information
CAS
1228183-22-9
Multi CAS
No
Molecular Formula
C7H7BN2O2
Molecular Weight
161.960000
Exact Mass
162.060058
SMILES
B(C1=CC2=C(C=C1)N=CN2)(O)O
InChI
InChI=1S/C7H7BN2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4,11-12H,(H,9,10)
InChIKey
PJLWYAFHMUXYCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.92
TPSA
69.14
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.67
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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