CAS RN: 16208-89-2
2”-NITROPHENYL 2,2′,3,3′,4′-PENTA-O-ACETYL-B-D-XYLOBIOSIDE
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.20251015 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16208-89-2
- Purity/Analytical Methods: >99.0%
16208-89-2 / 2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
Basic Information
CAS
16208-89-2
Multi CAS
No
Molecular Formula
C24H20N2
Molecular Weight
336.400000
Exact Mass
336.162649
SMILES
CC1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C)C4=CC=NC=C4
InChI
InChI=1S/C24H20N2/c1-17-3-7-20(8-4-17)23-15-22(19-11-13-25-14-12-19)16-24(26-23)21-9-5-18(2)6-10-21/h3-16H,1-2H3
InChIKey
XWVASFZTYFAOSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
107.81
TPSA
25.78
LogP / Solubility
WLOGP
6.09
MLOGP
5.38
XLogP3
5.5
Consensus LogP
5.66
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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