CAS RN: 17059-50-6
2-ETHYL-1H-INDENE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS17059-50-6
- Purity/Analytical Methods: >99.0%
17059-50-6 / 2-ethyl-1H-indene
Basic Information
CAS
17059-50-6
Multi CAS
No
Molecular Formula
C11H12
Molecular Weight
144.210000
Exact Mass
144.093900
SMILES
CCC1=CC2=CC=CC=C2C1
InChI
InChI=1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-7H,2,8H2,1H3
InChIKey
BSHJHVHMLRKHBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
Molar refractivity
48.41
TPSA
0.0000
LogP / Solubility
WLOGP
3.04
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.94
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(4-chlorophenyl)-3-phenyl-propane-1,3-dione
- CAS RN: 17059-59-5
- Product Code: SSC-075079
-
1,2-DICHLOROETHANE-D4
- CAS RN: 17060-07-0
- Product Code: starshine_CAS17060-07-0
- Purity/Analytical method: >99.0%
-
-
-
-
1-Nitro-4-(prop-2-yn-1-yloxy)benzene
- CAS RN: 17061-85-7
- Product Code: starshine_CAS17061-85-7
- Purity/Analytical method: >99.0%
.gif)
![CAS 17061-63-1 N-[(4-methoxyphenyl)methyl]formamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/17061-63-1.gif)
