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CAS 1686100-04-8 Boronic acid, B-(9-[1,1′-biphenyl]-4-yl-9H-carbazol-2-yl)- molecular structure lightbox
CAS RN: 1686100-04-8

Boronic acid, B-(9-[1,1′-biphenyl]-4-yl-9H-carbazol-2-yl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1686100-04-8
  • Purity/Analytical Methods: >99.0%
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1686100-04-8 / [9-(4-phenylphenyl)carbazol-2-yl]boronic acid

Standard CAS: 1686100-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1686100-04-8
Multi CAS
No
Molecular Formula
C24H18BNO2
Molecular Weight
363.200000
Exact Mass
363.143059
SMILES
B(C1=CC2=C(C=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C24H18BNO2/c27-25(28)19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17/h1-16,27-28H
InChIKey
BORLELIEOILAEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.04
TPSA
45.39

LogP / Solubility

WLOGP
4.13
MLOGP
3.65
XLogP3
4.13
Consensus LogP
3.97
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2

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
3.5

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