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CAS 4505-48-0 2-PHENYLINDENE molecular structure lightbox
CAS RN: 4505-48-0

2-PHENYLINDENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250322 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4505-48-0
  • Purity/Analytical Methods: >99.0%
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4505-48-0 / 2-phenyl-1H-indene

Standard CAS: 4505-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4505-48-0
Multi CAS
No
Molecular Formula
C15H12
Molecular Weight
192.250000
Exact Mass
192.093900
InChI
InChI=1S/C15H12/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15/h1-10H,11H2
InChIKey
BSBXLZYWGGAVHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
Molar refractivity
64.46
TPSA
0.0000

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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