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CAS 1918139-30-6 2-[1,1′-Biphenyl]-4-yl-4-(4-bromophenyl)-6-phenylpyrimidine molecular structure lightbox
CAS RN: 1918139-30-6

2-[1,1′-Biphenyl]-4-yl-4-(4-bromophenyl)-6-phenylpyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1918139-30-6
  • Purity/Analytical Methods: >99.0%
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1918139-30-6 / 4-(4-bromophenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine

Standard CAS: 1918139-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1918139-30-6
Multi CAS
No
Molecular Formula
C28H19BrN2
Molecular Weight
463.400000
Exact Mass
462.073160
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C28H19BrN2/c29-25-17-15-23(16-18-25)27-19-26(22-9-5-2-6-10-22)30-28(31-27)24-13-11-21(12-14-24)20-7-3-1-4-8-20/h1-19H
InChIKey
VCMBRZKWXOEPML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
131.48
TPSA
25.78

LogP / Solubility

WLOGP
7.91
MLOGP
6.99
XLogP3
7.5
Consensus LogP
7.47
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-9.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
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)
0.07

Drug-likeness / Medicinal Chemistry

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

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