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CAS 881314-65-4 4-(2-Methoxyphenyl)phenylboronic acid, pinacol ester molecular structure lightbox
CAS RN: 881314-65-4

4-(2-Methoxyphenyl)phenylboronic acid, pinacol ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS881314-65-4
  • Purity/Analytical Methods: >99.0%
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881314-65-4 / 2-[4-(2-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 881314-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881314-65-4
Multi CAS
No
Molecular Formula
BC19H23O3
Molecular Weight
310.200000
Exact Mass
310.174025
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)15-12-10-14(11-13-15)16-8-6-7-9-17(16)21-5/h6-13H,1-5H3
InChIKey
UMZWOISFJWYEGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
94.15
TPSA
27.69

LogP / Solubility

WLOGP
3.66
MLOGP
3.24
XLogP3
3.66
Consensus LogP
3.52
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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
2.5

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