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CAS 934603-99-3 B-[1,1′:3′,1”-Terphenyl]-3-ylboronic acid molecular structure lightbox
CAS RN: 934603-99-3

B-[1,1′:3′,1”-Terphenyl]-3-ylboronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251209 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS934603-99-3
  • Purity/Analytical Methods: >99.0%
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934603-99-3 / [3-(3-phenylphenyl)phenyl]boronic acid

Standard CAS: 934603-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
934603-99-3
Multi CAS
No
Molecular Formula
BC18H15O2
Molecular Weight
274.100000
Exact Mass
274.116510
InChI
InChI=1S/C18H15BO2/c20-19(21)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,20-21H
InChIKey
REEVCLDEDONJPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
87.14
TPSA
40.46

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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