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CAS 312968-33-5 1,1′-Biphenyl, 2,2′-dibroMo- molecular structure lightbox
CAS RN: 312968-33-5

1,1′-Biphenyl, 2,2′-dibroMo-

  • Product code: SSC-136603
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 312968-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry

312968-33-5 / [2-(2-boronophenyl)phenyl]boronic acid

Standard CAS: 312968-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312968-33-5
Multi CAS
No
Molecular Formula
B2C12H12O4
Molecular Weight
241.800000
Exact Mass
242.092169
InChI
InChI=1S/C12H12B2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8,15-18H
InChIKey
BVFQKUXUNMZSLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
71.53
TPSA
80.92

LogP / Solubility

WLOGP
-1.29
MLOGP
-1.13
XLogP3
-1.29
Consensus LogP
-1.24
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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