CAS RN: 53786-28-0
5-Chloro-1-(4-piperidinyl)-2-benzimidazolinone
- Product code: SSC-161176
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
53786-28-0 / 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one
Basic Information
CAS
53786-28-0
Multi CAS
Yes
Molecular Formula
C12H14CLN3O
Molecular Weight
251.710000
Exact Mass
251.082540
InChI
InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
InChIKey
DOAYWDKFDPSTSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.71
TPSA
49.82
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
2.6
Consensus LogP
2.06
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-Bromomethyl-1,4-benzodioxane
- CAS RN: 2164-34-3
- Product Code: ICTB2349
- Purity/Analytical method: >98.0%(GC)(T)
-
-
-
