CAS RN: 51641-96-4
1,4-Bis(3-isocyanopropyl)piperazine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-158572
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 |
51641-96-4 / 4-[4-(3-cyanopropyl)piperazin-1-yl]butanenitrile
Basic Information
CAS
51641-96-4
Multi CAS
Yes
Molecular Formula
C12H20N4
Molecular Weight
220.310000
Exact Mass
220.168797
InChI
InChI=1S/C12H20N4/c13-5-1-3-7-15-9-11-16(12-10-15)8-4-2-6-14/h1-4,7-12H2
InChIKey
LSZCOSOHKKHCEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
62.57
TPSA
54.06
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.2
Consensus LogP
0.83
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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tert-Butyl 4-(4-Aminophenyl)piperidine-1-carboxylate
- CAS RN: 170011-57-1
- Product Code: SSC-074625
