CAS RN: 486-12-4
Triprolidine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS486-12-4
- Purity/Analytical Methods: >99.0%
486-12-4 / 2-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
Basic Information
CAS
486-12-4
Multi CAS
Yes
Molecular Formula
C19H22N2
Molecular Weight
278.400000
Exact Mass
278.178299
InChI
InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3
InChIKey
CBEQULMOCCWAQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
88.17
TPSA
16.13
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.76
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Isofraxidin
- CAS RN: 486-21-5
- Product Code: starshine_CAS486-21-5
- Purity/Analytical method: >99.0%
-
FRAXINOL
- CAS RN: 486-28-2
- Product Code: starshine_CAS486-28-2
- Purity/Analytical method: >99.0%
-
-
-
DAPHNIN
- CAS RN: 486-55-5
- Product Code: starshine_CAS486-55-5
- Purity/Analytical method: >99.0%
-
![CAS 486-52-2 Indeno[1,2-b]fluorene, 6,12-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/486-52-2.gif)
