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CAS 914306-89-1 2,6-Dibromo-9,10-di(naphthalen-1-yl)anthracene molecular structure lightbox
CAS RN: 914306-89-1

2,6-Dibromo-9,10-di(naphthalen-1-yl)anthracene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS914306-89-1
  • Purity/Analytical Methods: >99.0%
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914306-89-1 / 2,6-dibromo-9,10-dinaphthalen-1-ylanthracene

Standard CAS: 914306-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914306-89-1
Multi CAS
No
Molecular Formula
C34H20BR2
Molecular Weight
588.300000
Exact Mass
587.991130
InChI
InChI=1S/C34H20Br2/c35-23-16-18-30-31(19-23)33(27-13-5-9-21-7-1-3-11-25(21)27)29-17-15-24(36)20-32(29)34(30)28-14-6-10-22-8-2-4-12-26(22)28/h1-20H
InChIKey
HDGCGHBEIGZDSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
34
Rotatable bonds
2
Molar refractivity
162.74
TPSA
0.0000

LogP / Solubility

WLOGP
11.16
MLOGP
9.87
XLogP3
11.6
Consensus LogP
10.88
Log S (ESOL)
-11.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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