![CAS 714272-27-2 (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/22793500.png)
CAS RN: 714272-27-2
(3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
Product Availability
Choose a grade to view its available package options.
17 package records16 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250622 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250324 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250415 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260617 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250919 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260107 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260613 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-181015
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 |
714272-27-2 / (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
Basic Information
CAS
714272-27-2
Multi CAS
Yes
Molecular Formula
C19H20N4O2
Molecular Weight
336.400000
Exact Mass
336.158626
InChI
InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
InChIKey
UNRCMCRRFYFGFX-TYPNBTCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
97.8
TPSA
94.4
LogP / Solubility
WLOGP
0.74
MLOGP
0.67
XLogP3
2.8
Consensus LogP
1.4
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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