CAS RN: 889-36-1
4-(4-(DIMETHYLAMINO)STYRYL)PYRIDINE 95
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: starshine_CAS889-36-1
- Purity/Analytical Methods: >99.0%
889-36-1 / N,N-dimethyl-4-(2-pyridin-4-ylethenyl)aniline
Basic Information
CAS
889-36-1
Multi CAS
Yes
Molecular Formula
C15H16N2
Molecular Weight
224.300000
Exact Mass
224.131349
InChI
InChI=1S/C15H16N2/c1-17(2)15-7-5-13(6-8-15)3-4-14-9-11-16-12-10-14/h3-12H,1-2H3
InChIKey
LIXUVTQYCRSIET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.93
TPSA
16.13
LogP / Solubility
WLOGP
3.32
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-Benzylidene-1-napthylamine
- CAS RN: 890-51-7
- Product Code: starshine_CAS890-51-7
- Purity/Analytical method: >99.0%
-
-
Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris-
- CAS RN: 891-65-6
- Product Code: SSC-200970
-
-
3-NITROFLUORANTHENE
- CAS RN: 892-21-7
- Product Code: starshine_CAS892-21-7
- Purity/Analytical method: >99.0%
-
![CAS 891-65-6 Ethanol, 2,2′,2”-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/891-65-6.gif)
