CAS RN: 4282-45-5
4-(4-NITROPHENYL)PYRIDINE
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.20250118 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4282-45-5
- Purity/Analytical Methods: >99.0%
4282-45-5 / 4-(4-nitrophenyl)pyridine
Basic Information
CAS
4282-45-5
Multi CAS
Yes
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
InChI
InChI=1S/C11H8N2O2/c14-13(15)11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8H
InChIKey
XBXSGMVYJPSYLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.33
TPSA
56.03
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.4
Consensus LogP
2.47
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.05
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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