CAS RN: 878432-74-7
5-AMINO-1,3-DIMETHYL-6-PIPERIDIN-1-YL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
- Product code: SSC-198183
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 | Hong Kong | Inquiry |
878432-74-7 / 5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one
Basic Information
CAS
878432-74-7
Multi CAS
No
Molecular Formula
C14H20N4O
Molecular Weight
260.330000
Exact Mass
260.163711
InChI
InChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3
InChIKey
ZOMSUTGXSSYGLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.64
TPSA
56.19
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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