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CAS 215-58-7 1,2:3,4-DIBENZANTHRACENE molecular structure lightbox
CAS RN: 215-58-7

1,2:3,4-DIBENZANTHRACENE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai Inquiry
Batchno.20260604 25mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS215-58-7
  • Purity/Analytical Methods: >99.0%
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215-58-7 / benzo[b]triphenylene

Standard CAS: 215-58-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
215-58-7
Multi CAS
No
Molecular Formula
C22H14
Molecular Weight
278.300000
Exact Mass
278.109550
SMILES
C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1
InChI
InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
InChIKey
RAASUWZPTOJQAY-UHFFFAOYSA-N

Physical Properties

Physical Description
Slightly yellow solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
22
Molar refractivity
96.47
TPSA
0.0000

LogP / Solubility

WLOGP
6.3
MLOGP
5.55
XLogP3
6.7
Consensus LogP
6.18
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.05

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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