CAS RN: 87259-89-0
(1E,3E)-1,4-Bis(2-Nitrophenyl)Buta-1,3-Diene
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.20260609 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-197026
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 | Shenzhen | Inquiry |
87259-89-0 / 1-nitro-2-[4-(2-nitrophenyl)buta-1,3-dienyl]benzene
Basic Information
CAS
87259-89-0
Multi CAS
Yes
Molecular Formula
C16H12N2O4
Molecular Weight
296.280000
Exact Mass
296.079707
InChI
InChI=1S/C16H12N2O4/c19-17(20)15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18(21)22/h1-12H/b7-1+,8-2+
InChIKey
NOBVYURTQVHAAH-FACPPWRESA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
84.26
TPSA
86.28
LogP / Solubility
WLOGP
4.23
MLOGP
3.73
XLogP3
4.5
Consensus LogP
4.15
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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