CAS RN: 2225787-92-6
2-Piperazineacetonitrile, 1,4-bis(phenylmethyl)-, (2S)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-107253
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 |
2225787-92-6 / 2-[(2S)-1,4-dibenzylpiperazin-2-yl]acetonitrile
Basic Information
CAS
2225787-92-6
Multi CAS
No
Molecular Formula
C20H23N3
Molecular Weight
305.400000
Exact Mass
305.189198
SMILES
C1CN([C@H](CN1CC2=CC=CC=C2)CC#N)CC3=CC=CC=C3
InChI
InChI=1S/C20H23N3/c21-12-11-20-17-22(15-18-7-3-1-4-8-18)13-14-23(20)16-19-9-5-2-6-10-19/h1-10,20H,11,13-17H2/t20-/m0/s1
InChIKey
NMFYHCYOYUZSSI-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
92.59
TPSA
30.27
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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