CAS RN: 333795-11-2
Benzamide, 4-(4-piperidinylmethyl)-, hydrochloride (1:1)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-139426
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
333795-11-2 / 4-(piperidin-4-ylmethyl)benzamide;hydrochloride
Basic Information
CAS
333795-11-2
Multi CAS
No
Molecular Formula
C13H19CLN2O
Molecular Weight
254.750000
Exact Mass
254.118591
InChI
InChI=1S/C13H18N2O.ClH/c14-13(16)12-3-1-10(2-4-12)9-11-5-7-15-8-6-11;/h1-4,11,15H,5-9H2,(H2,14,16);1H
InChIKey
VASKEKSKJWHBER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.51
TPSA
55.12
LogP / Solubility
WLOGP
1.75
MLOGP
1.55
XLogP3
1.75
Consensus LogP
1.68
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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