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CAS 518336-20-4 4-(1-Hydroxyethyl)phenylboronic acid molecular structure lightbox
CAS RN: 518336-20-4

4-(1-Hydroxyethyl)phenylboronic acid

  • Product code: SSC-158860
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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: 1g, 0.25g, 5g, 10g
  • 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 518336-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry

518336-20-4 / [4-(1-hydroxyethyl)phenyl]boronic acid

Standard CAS: 518336-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
518336-20-4
Multi CAS
No
Molecular Formula
BC8H11O3
Molecular Weight
165.980000
Exact Mass
166.080124
InChI
InChI=1S/C8H11BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10-12H,1H3
InChIKey
QORATNLZEOZUPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.9
TPSA
60.69

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.51
XLogP3
-0.58
Consensus LogP
-0.56
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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