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CAS 78383-17-2 4-phenylindan-1-one molecular structure lightbox
CAS RN: 78383-17-2

4-phenylindan-1-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS78383-17-2
  • Purity/Analytical Methods: >99.0%
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78383-17-2 / 4-phenyl-2,3-dihydroinden-1-one

Standard CAS: 78383-17-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78383-17-2
Multi CAS
Yes
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
InChI
InChI=1S/C15H12O/c16-15-10-9-13-12(7-4-8-14(13)15)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKey
OTSJZOYSLXXFPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
64.53
TPSA
17.07

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.28
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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)
-1.52

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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