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CAS 944279-23-6 4-(2-(diMethylaMino)ethoxy)-3-fluorophenylboronic acid molecular structure lightbox
CAS RN: 944279-23-6

4-(2-(diMethylaMino)ethoxy)-3-fluorophenylboronic acid

  • Product code: SSC-209220
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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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 944279-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

944279-23-6 / [4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]boronic acid

Standard CAS: 944279-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944279-23-6
Multi CAS
No
Molecular Formula
BC10FH15NO3
Molecular Weight
227.040000
Exact Mass
227.112902
InChI
InChI=1S/C10H15BFNO3/c1-13(2)5-6-16-10-4-3-8(11(14)15)7-9(10)12/h3-4,7,14-15H,5-6H2,1-2H3
InChIKey
WIRZCZXOJWPDTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.27
TPSA
52.93

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.48
XLogP3
-0.55
Consensus LogP
-0.53
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-4.5

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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