CAS RN: 1388050-02-9
5-Bromo-4-chloro-1,3-dihydro-benzoimidazol-2-one
- Product code: SSC-048846
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 |
1388050-02-9 / 5-bromo-4-chloro-1,3-dihydrobenzimidazol-2-one
Basic Information
CAS
1388050-02-9
Multi CAS
No
Molecular Formula
C7H4BrClN2O
Molecular Weight
247.470000
Exact Mass
245.919550
SMILES
C1=CC(=C(C2=C1NC(=O)N2)Cl)Br
InChI
InChI=1S/C7H4BrClN2O/c8-3-1-2-4-6(5(3)9)11-7(12)10-4/h1-2H,(H2,10,11,12)
InChIKey
URFJGQOPXVRDKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
51.63
TPSA
48.65
LogP / Solubility
WLOGP
2.27
MLOGP
2.01
XLogP3
1.9
Consensus LogP
2.06
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.62
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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