![CAS 150096-60-9 2-METHYLBENZO[E]INDENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150096-60-9.gif)
CAS RN: 150096-60-9
2-METHYLBENZO[E]INDENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS150096-60-9
- Purity/Analytical Methods: >99.0%
150096-60-9 / 2-methyl-3H-cyclopenta[a]naphthalene
Basic Information
CAS
150096-60-9
Multi CAS
No
Molecular Formula
C14H12
Molecular Weight
180.240000
Exact Mass
180.093900
SMILES
CC1=CC2=C(C1)C=CC3=CC=CC=C32
InChI
InChI=1S/C14H12/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)9-10/h2-7,9H,8H2,1H3
InChIKey
BPGQLRATYHGTEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.14
Molar refractivity
61.3
TPSA
0.0000
LogP / Solubility
WLOGP
3.8
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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