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CAS 819057-45-9 4-Amino-2-fluorophenylboronic acid, pinacol ester molecular structure lightbox
CAS RN: 819057-45-9

4-Amino-2-fluorophenylboronic acid, pinacol ester

  • Product code: SSC-190184
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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, 25g, 100g
  • Available purity: >97%
  • 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 819057-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Shanghai Inquiry
1g >97% 4 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

819057-45-9 / 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Standard CAS: 819057-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
819057-45-9
Multi CAS
Yes
Molecular Formula
BC12FH17NO2
Molecular Weight
237.080000
Exact Mass
237.133637
InChI
InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(15)7-10(9)14/h5-7H,15H2,1-4H3
InChIKey
FLMNWVXAEGUVNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.53
TPSA
44.48

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-2.95

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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