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CAS 480438-73-1 5-FLUORO-2-PROPOXYPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 480438-73-1

5-FLUORO-2-PROPOXYPHENYLBORONIC ACID

  • Product code: SSC-155012
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 480438-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

480438-73-1 / (5-fluoro-2-propoxyphenyl)boronic acid

Standard CAS: 480438-73-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480438-73-1
Multi CAS
Yes
Molecular Formula
BC9FH12O3
Molecular Weight
198.000000
Exact Mass
198.086353
InChI
InChI=1S/C9H12BFO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
InChIKey
TVQRNJJJJCUOLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.01
TPSA
49.69

LogP / Solubility

WLOGP
0.29
MLOGP
0.26
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-3.72

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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