CAS RN: 851868-26-3
Pyridine, 4,4′-(1,4-phenylene)bis[2,6-dimethyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS851868-26-3
- Purity/Analytical Methods: >99.0%
851868-26-3 / 4-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2,6-dimethylpyridine
Basic Information
CAS
851868-26-3
Multi CAS
No
Molecular Formula
C20H20N2
Molecular Weight
288.400000
Exact Mass
288.162649
InChI
InChI=1S/C20H20N2/c1-13-9-19(10-14(2)21-13)17-5-7-18(8-6-17)20-11-15(3)22-16(4)12-20/h5-12H,1-4H3
InChIKey
FLMQKAGQIXYIQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
91.85
TPSA
25.78
LogP / Solubility
WLOGP
5.04
MLOGP
4.45
XLogP3
4.6
Consensus LogP
4.7
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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