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CAS 97083-12-0 9-phenylethynyl-10-phenylanthracene molecular structure lightbox
CAS RN: 97083-12-0

9-phenylethynyl-10-phenylanthracene

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 25mg / 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 100mg Out of stock Inquiry
Batchno.20260311 1g Out of stock Inquiry
Batchno.20250717 250mg Out of stock Inquiry
  • Product code: starshine_CAS97083-12-0
  • Purity/Analytical Methods: >99.0%
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97083-12-0 / 9-phenyl-10-(2-phenylethynyl)anthracene

Standard CAS: 97083-12-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97083-12-0
Multi CAS
No
Molecular Formula
C28H18
Molecular Weight
354.400000
Exact Mass
354.140851
InChI
InChI=1S/C28H18/c1-3-11-21(12-4-1)19-20-25-23-15-7-9-17-26(23)28(22-13-5-2-6-14-22)27-18-10-8-16-24(25)27/h1-18H
InChIKey
YVRDYTIJRGATPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
26
Rotatable bonds
1
Molar refractivity
119.31
TPSA
0.0000

LogP / Solubility

WLOGP
7.06
MLOGP
6.23
XLogP3
8.1
Consensus LogP
7.13
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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