CAS RN: 52583-70-7
6-(3-NITROPHENYL)-2-PYRIDINECARBOXALDEH&
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.20250725 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS52583-70-7
- Purity/Analytical Methods: >99.0%
52583-70-7 / 6-(3-nitrophenyl)pyridine-2-carbaldehyde
Basic Information
CAS
52583-70-7
Multi CAS
No
Molecular Formula
C12H8N2O3
Molecular Weight
228.200000
Exact Mass
228.053492
InChI
InChI=1S/C12H8N2O3/c15-8-10-4-2-6-12(13-10)9-3-1-5-11(7-9)14(16)17/h1-8H
InChIKey
MEBRRQOWKWXTRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.71
TPSA
73.1
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-2.36
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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