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CAS RN: 1399191-70-8
5,5′-(1,4-phenylene)dipicolinaldehyde
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.20251106 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-050411
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1399191-70-8 / 5-[4-(6-formyl-3-pyridinyl)phenyl]pyridine-2-carbaldehyde
Basic Information
CAS
1399191-70-8
Multi CAS
No
Molecular Formula
C18H12N2O2
Molecular Weight
288.300000
Exact Mass
288.089878
SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C=O)C3=CN=C(C=C3)C=O
InChI
InChI=1S/C18H12N2O2/c21-11-17-7-5-15(9-19-17)13-1-2-14(4-3-13)16-6-8-18(12-22)20-10-16/h1-12H
InChIKey
LOSZXONRCMCJCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
83.68
TPSA
59.92
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
2.6
Consensus LogP
3.02
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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