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CAS 1184301-61-8 10-(2-biphenyl)-9-Indoleboronic acid pinacol ester molecular structure lightbox
CAS RN: 1184301-61-8

10-(2-biphenyl)-9-Indoleboronic acid pinacol ester

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260113 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1184301-61-8
  • Purity/Analytical Methods: >99.0%
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1184301-61-8 / 4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane

10-(2-biphenyl)-9-Indoleboronic acid pinacol ester | 2-(10-([1,1'-Biphenyl]-2-yl)anthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane

Standard CAS: 1184301-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1184301-61-8
Multi CAS
No
Molecular Formula
C32H29BO2
Molecular Weight
456.400000
Exact Mass
456.226060
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)C5=CC=CC=C5C6=CC=CC=C6
InChI
InChI=1S/C32H29BO2/c1-31(2)32(3,4)35-33(34-31)30-27-20-12-10-18-25(27)29(26-19-11-13-21-28(26)30)24-17-9-8-16-23(24)22-14-6-5-7-15-22/h5-21H,1-4H3
InChIKey
GWUWBTXJLPINIT-UHFFFAOYSA-N
Synonyms
10-(2-biphenyl)-9-Indoleboronic acid pinacol ester 2-(10-([1,1'-Biphenyl]-2-yl)anthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane MFCD34167233 AS-85323

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
26
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
148.04
TPSA
18.46

LogP / Solubility

WLOGP
7.63
MLOGP
6.74
XLogP3
7.63
Consensus LogP
7.33
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.32
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)
-0.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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