CAS RN: 154380-68-4
1-(2-Methyl-1H-inden-7-yl)naphthalene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS154380-68-4
- Purity/Analytical Methods: >99.0%
154380-68-4 / 1-(2-methyl-3H-inden-4-yl)naphthalene
Basic Information
CAS
154380-68-4
Multi CAS
No
Molecular Formula
C20H16
Molecular Weight
256.300000
Exact Mass
256.125201
SMILES
CC1=CC2=C(C1)C(=CC=C2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16/c1-14-12-16-8-5-11-19(20(16)13-14)18-10-4-7-15-6-2-3-9-17(15)18/h2-12H,13H2,1H3
InChIKey
VQSMDEGMFQYKRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
1
Molar refractivity
86.74
TPSA
0.0000
LogP / Solubility
WLOGP
5.47
MLOGP
4.82
XLogP3
5.5
Consensus LogP
5.26
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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