CAS RN: 1087737-96-9
5,6-Dichlorobenzimidazole Hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-010030
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 | Shenzhen | Inquiry |
1087737-96-9 / 5,6-dichloro-1H-benzimidazole;hydrochloride
5,6-Dichlorobenzimidazole Hydrochloride | RefChem:528005 | 806-944-7
Basic Information
CAS
1087737-96-9
Multi CAS
No
Molecular Formula
C7H5Cl3N2
Molecular Weight
223.500000
Exact Mass
221.951831
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=CN2.Cl
InChI
InChI=1S/C7H4Cl2N2.ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;/h1-3H,(H,10,11);1H
InChIKey
CKILENXYURTTFP-UHFFFAOYSA-N
Synonyms
5,6-Dichlorobenzimidazole Hydrochloride
RefChem:528005
806-944-7
5,6-dichloro-1H-benzimidazole;hydrochloride
MFCD16810292
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.36
TPSA
28.68
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.29
Consensus LogP
3.16
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
