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CAS 914675-52-8 Biphenyl-2-boronic acid pinaco molecular structure lightbox
CAS RN: 914675-52-8

Biphenyl-2-boronic acid pinaco

  • Product code: SSC-204658
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 914675-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

914675-52-8 / 4,4,5,5-tetramethyl-2-(2-phenylphenyl)-1,3,2-dioxaborolane

Standard CAS: 914675-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914675-52-8
Multi CAS
No
Molecular Formula
BC18H21O2
Molecular Weight
280.200000
Exact Mass
280.163460
InChI
InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)16-13-9-8-12-15(16)14-10-6-5-7-11-14/h5-13H,1-4H3
InChIKey
WCXWQEUBHZKNMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
87.59
TPSA
18.46

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.65
Consensus LogP
3.51
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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)
-1.84

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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