CAS RN: 25083-80-1
6-(benzyloxy)-2,3-dihydroinden-1-one
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.20250221 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25083-80-1
- Purity/Analytical Methods: >99.0%
25083-80-1 / 6-phenylmethoxy-2,3-dihydroinden-1-one
Basic Information
CAS
25083-80-1
Multi CAS
No
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
SMILES
C1CC(=O)C2=C1C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H14O2/c17-16-9-7-13-6-8-14(10-15(13)16)18-11-12-4-2-1-3-5-12/h1-6,8,10H,7,9,11H2
InChIKey
IZYHTJMGZJVEDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
69.87
TPSA
26.3
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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