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CAS 848086-93-1 4,4′-bis(3-bromo-9H-carbazol-9-yl)-1,1′-biphenyl molecular structure lightbox
CAS RN: 848086-93-1

4,4′-bis(3-bromo-9H-carbazol-9-yl)-1,1′-biphenyl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS848086-93-1
  • Purity/Analytical Methods: >99.0%
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848086-93-1 / 3-bromo-9-[4-[4-(3-bromocarbazol-9-yl)phenyl]phenyl]carbazole

Standard CAS: 848086-93-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
848086-93-1
Multi CAS
Yes
Molecular Formula
C36H22BR2N2
Molecular Weight
642.400000
Exact Mass
642.012920
InChI
InChI=1S/C36H22Br2N2/c37-25-13-19-35-31(21-25)29-5-1-3-7-33(29)39(35)27-15-9-23(10-16-27)24-11-17-28(18-12-24)40-34-8-4-2-6-30(34)32-22-26(38)14-20-36(32)40/h1-22H
InChIKey
PIQLSWNMCZTPKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
175.96
TPSA
9.86

LogP / Solubility

WLOGP
11.07
MLOGP
9.8
XLogP3
11.1
Consensus LogP
10.66
Log S (ESOL)
-11.3
Class (ESOL)
Insoluble
Log S (Ali)
-12.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.39
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)
1.22

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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