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CAS 626251-12-5 4-Acetamido-3-fluorophenylboronic Acid molecular structure lightbox
CAS RN: 626251-12-5

4-Acetamido-3-fluorophenylboronic Acid

  • Product code: SSC-171901
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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 626251-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

626251-12-5 / (4-acetamido-3-fluorophenyl)boronic acid

Standard CAS: 626251-12-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
626251-12-5
Multi CAS
No
Molecular Formula
BC8FH9NO3
Molecular Weight
196.970000
Exact Mass
197.065952
InChI
InChI=1S/C8H9BFNO3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4,13-14H,1H3,(H,11,12)
InChIKey
RSBBBRALHOPKCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.53
TPSA
69.56

LogP / Solubility

WLOGP
-0.54
MLOGP
-0.47
XLogP3
-0.54
Consensus LogP
-0.52
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
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)
-4.3

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
1.5

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