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CAS 668493-36-5 Boronic acid, [4′-(diphenylamino)[1,1′-biphenyl]-4-yl]- molecular structure lightbox
CAS RN: 668493-36-5

Boronic acid, [4′-(diphenylamino)[1,1′-biphenyl]-4-yl]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS668493-36-5
  • Purity/Analytical Methods: >99.0%
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668493-36-5 / [4-[4-(N-phenylanilino)phenyl]phenyl]boronic acid

Standard CAS: 668493-36-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
668493-36-5
Multi CAS
Yes
Molecular Formula
BC24H20NO2
Molecular Weight
365.200000
Exact Mass
365.158709
InChI
InChI=1S/C24H20BNO2/c27-25(28)21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18,27-28H
InChIKey
MNWUURWKWDHFJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.39
TPSA
43.7

LogP / Solubility

WLOGP
4.5
MLOGP
3.98
XLogP3
4.5
Consensus LogP
4.33
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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