.gif)
CAS RN: 1402299-58-4
Propanedinitrile, 2-(1-ethyl-2-methyl-4(1H)-quinolinylidene)-
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-050761
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1402299-58-4 / 2-(1-ethyl-2-methylquinolin-4-ylidene)propanedinitrile
Basic Information
CAS
1402299-58-4
Multi CAS
No
Molecular Formula
C15H13N3
Molecular Weight
235.280000
Exact Mass
235.110947
SMILES
CCN1C(=CC(=C(C#N)C#N)C2=CC=CC=C21)C
InChI
InChI=1S/C15H13N3/c1-3-18-11(2)8-14(12(9-16)10-17)13-6-4-5-7-15(13)18/h4-8H,3H2,1-2H3
InChIKey
HWSXOYAXORLZLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.37
TPSA
50.82
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
2.6
Consensus LogP
2.89
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
GSK-F1
- CAS RN: 1402345-92-9
- Product Code: starshine_CAS1402345-92-9
- Purity/Analytical method: >99.0%
-
N-[(8α,9S)-6′-Methoxycinchonan-9-yl]-N’-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-Thiourea
- CAS RN: 1402349-85-2
- Product Code: starshine_CAS1402349-85-2
- Purity/Analytical method: >99.0%
-
-
2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanenitrile
- CAS RN: 1402390-59-3
- Product Code: SSC-050767
-
-
4-Aminobutyl-DOTA-tris(t-butyl ester)
- CAS RN: 1402393-59-2
- Product Code: starshine_CAS1402393-59-2
- Purity/Analytical method: >99.0%
.gif)
![CAS 1402349-85-2 N-[(8α,9S)-6′-Methoxycinchonan-9-yl]-N’-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402349-85-2(2).gif)
.gif)
![CAS 1402390-59-3 2-Methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanenitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402390-59-3(2).gif)
.gif)
.gif)