CAS RN: 28232-52-2
3-(3-Pyridinyloxy)-1-nitrobenzene
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.20250525 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28232-52-2
- Purity/Analytical Methods: >99.0%
28232-52-2 / 3-(3-nitrophenoxy)pyridine
Basic Information
CAS
28232-52-2
Multi CAS
No
Molecular Formula
C11H8N2O3
Molecular Weight
216.190000
Exact Mass
216.053492
InChI
InChI=1S/C11H8N2O3/c14-13(15)9-3-1-4-10(7-9)16-11-5-2-6-12-8-11/h1-8H
InChIKey
ZGLWTQDQUDFCNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
57.41
TPSA
65.26
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.2
Consensus LogP
2.48
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.06
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
Customers Also Viewed
-
-
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9(10H)-acridinone
- CAS RN: 28233-34-3
- Product Code: starshine_CAS28233-34-3
- Purity/Analytical method: >99.0%
-
Atalaphylline
- CAS RN: 28233-35-4
- Product Code: starshine_CAS28233-35-4
- Purity/Analytical method: >99.0%
-
2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL FLUORIDE
- CAS RN: 2823-44-1
- Product Code: SSC-129066
-
-
